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

C24H19N3O2S — CID 6625650

IUPAC1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1oc(-c2cccs2)nc1CN1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19N3O2S/c1-16-19(26-24(29-16)21-12-7-13-30-21)15-27-20-11-6-5-10-18(20)23(25-14-22(27)28)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3
InChIKeyOQSPJKFFMMHGMP-UHFFFAOYSA-N
MW413.50 g/mol
LogP5.10
Rot. Bonds4

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

1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (PubChem CID 6625650) has the molecular formula C24H19N3O2S and a molecular weight of 413.50 g/mol. Its IUPAC name is 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
PubChem CID6625650
Molecular FormulaC24H19N3O2S
Molecular Weight413.50 g/mol
Exact Mass413.12
IUPAC Name1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
SMILESCc1oc(-c2cccs2)nc1CN1C(=O)CN=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C24H19N3O2S/c1-16-19(26-24(29-16)21-12-7-13-30-21)15-27-20-11-6-5-10-18(20)23(25-14-22(27)28)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3
InChIKeyOQSPJKFFMMHGMP-UHFFFAOYSA-N
XLogP5.10
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.50
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(5-methyl-2-thiophen-2-yl-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

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one (CID 6625650) is 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is Cc1oc(-c2cccs2)nc1CN1C(=O)CN=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
The InChIKey is OQSPJKFFMMHGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2S/c1-16-19(26-24(29-16)21-12-7-13-30-21)15-27-20-11-6-5-10-18(20)23(25-14-22(27)28)17-8-3-2-4-9-17/h2-13H,14-15H2,1H3.
What are the key properties of 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one?
1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one has a molecular weight of 413.50 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-phenyl-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 6625650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).