Chemical Components in the PDB

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N74 : Summary

Code

N74

One-letter code

X

Molecule name

N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(1-benzyl-1H-pyrazol-4-yl)-N'-(5-methyl-1,2-oxazol-3-yl)urea
OpenEye OEToolkits 2.0.6 1-(5-methyl-1,2-oxazol-3-yl)-3-[1-(phenylmethyl)pyrazol-4-yl]urea

Formula

C15 H15 N5 O2

Formal charge

0

Molecular weight

297.312 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N(c2cnn(Cc1ccccc1)c2)C(Nc3cc(C)on3)=O
SMILES CACTVS 3.385 Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1
SMILES OpenEye OEToolkits 2.0.6 Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3
Canonical SMILES CACTVS 3.385 Cc1onc(NC(=O)Nc2cnn(Cc3ccccc3)c2)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 Cc1cc(no1)NC(=O)Nc2cnn(c2)Cc3ccccc3

IUPAC InChI

InChI=1S/C15H15N5O2/c1-11-7-14(19-22-11)18-15(21)17-13-8-16-20(10-13)9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H2,17,18,19,21)

IUPAC InChI key

HPOHLKVNAQMNHB-UHFFFAOYSA-N
N74

wwPDB Information

Atom count

37 (22 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-05-03

Last modified at

2019-12-13

Status

Released

Obsoleted

Not Assigned