1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

C26H21N3O2 — CID 4053467

IUPAC1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1oc(-c2ccccc2)nc1CN1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H21N3O2/c1-18-22(28-26(31-18)20-12-6-3-7-13-20)17-29-23-15-9-8-14-21(23)25(27-16-24(29)30)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3
InChIKeyCLBJTMLZXUDMPQ-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.03
Rot. Bonds4

About 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one

1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 4053467) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID4053467
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1oc(-c2ccccc2)nc1CN1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C26H21N3O2/c1-18-22(28-26(31-18)20-12-6-3-7-13-20)17-29-23-15-9-8-14-21(23)25(27-16-24(29)30)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3
InChIKeyCLBJTMLZXUDMPQ-UHFFFAOYSA-N
XLogP5.03
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-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

Dimethyl-POPOP
CID 76491
GW-7845
CID 9870584
Oxazole, 2-methyl-4,5-diphenyl-
CID 139703
N-[(2s)-2-[(2-Benzoylphenyl)amino]-3-{4-[2-(5-Methyl-2-Phenyl-1,3-Oxazol-4-Yl)ethoxy]phenyl}propyl]acetamide
CID 11635549
N-{2-[ethyl(phenyl)amino]ethyl}-1-{[2-(4-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3238586
2-(S)-2-(2-benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid
CID 44591474
(R)-2,4-dimethyl-5-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinolin-2-yl)oxazole
CID 46890688
2-Methyl-4-(4-nitrophenyl)-5-phenyl-1,3-oxazole
CID 2801356
Phenylpropanoic acid derivative, 17l
CID 10137230
Phenylpropanoic acid derivative, 75
CID 44263428
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
1-[[2-(4-ethylphenyl)-5-methyl-4-oxazolyl]methyl]-N-[(2-methoxyphenyl)methyl]-4-piperidinecarboxamide
CID 3236520

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 4053467) is 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is Cc1oc(-c2ccccc2)nc1CN1C(=O)CN=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is CLBJTMLZXUDMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c1-18-22(28-26(31-18)20-12-6-3-7-13-20)17-29-23-15-9-8-14-21(23)25(27-16-24(29)30)19-10-4-2-5-11-19/h2-15H,16-17H2,1H3.
What are the key properties of 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 407.47 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 4053467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).