5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one

C22H16N6O2 — CID 134461203

IUPAC5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccncc2)o1
InChIInChI=1S/C22H16N6O2/c29-20-19(26-22-28-27-21(30-22)15-10-12-23-13-11-15)25-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)24-20/h1-13,19H,(H,24,29)(H,26,28)
InChIKeyGMNGVRULWZKKTK-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.36
Rot. Bonds4

About 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one

5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461203) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461203
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC Name5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccncc2)o1
InChIInChI=1S/C22H16N6O2/c29-20-19(26-22-28-27-21(30-22)15-10-12-23-13-11-15)25-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)24-20/h1-13,19H,(H,24,29)(H,26,28)
InChIKeyGMNGVRULWZKKTK-UHFFFAOYSA-N
XLogP3.36
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644859
N-(4-tert-butylphenyl)-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644873
N-[4-(propan-2-yl)phenyl]-5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-1,3,4-oxadiazol-2-amine
CID 23644874
5-{3-[2-(pyridin-4-yl)ethyl]pyridin-4-yl}-N-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644882
3-methyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3397365
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 7100780
N-benzyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methylamino]benzamide
CID 137653406
1,3,4-Oxadiazol-2-amine, N-phenyl-5-(4-pyridinyl)-
CID 121137
2-fluoro-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 3463675
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
CID 3463680
4-Methyl-N-[5-(pyridin-4-YL)-1,3,4-oxadiazol-2-YL]benzamide
CID 5175267
N-[4-[(dimethylamino)methyl]phenyl]-5-(3-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 137650037

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461203) is 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccncc2)o1.
What is the InChIKey of 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is GMNGVRULWZKKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c29-20-19(26-22-28-27-21(30-22)15-10-12-23-13-11-15)25-18(14-6-2-1-3-7-14)16-8-4-5-9-17(16)24-20/h1-13,19H,(H,24,29)(H,26,28).
What are the key properties of 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 396.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)amino]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).