5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole

C24H17FN4O — CID 122581998

IUPAC5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
SMILESFc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC3C4)cc21
InChIInChI=1S/C24H17FN4O/c25-18-4-2-1-3-16(18)22-17-7-14(24-8-15(24)9-24)5-6-19(17)29-12-28-23(20(29)10-27-22)21-11-26-13-30-21/h1-7,11-13,15H,8-10H2
InChIKeyQTBYVANUFLDTSZ-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.68
Rot. Bonds3

About 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole

5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (PubChem CID 122581998) has the molecular formula C24H17FN4O and a molecular weight of 396.43 g/mol. Its IUPAC name is 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
PubChem CID122581998
Molecular FormulaC24H17FN4O
Molecular Weight396.43 g/mol
Exact Mass396.14
IUPAC Name5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
SMILESFc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC3C4)cc21
InChIInChI=1S/C24H17FN4O/c25-18-4-2-1-3-16(18)22-17-7-14(24-8-15(24)9-24)5-6-19(17)29-12-28-23(20(29)10-27-22)21-11-26-13-30-21/h1-7,11-13,15H,8-10H2
InChIKeyQTBYVANUFLDTSZ-UHFFFAOYSA-N
XLogP4.68
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole 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 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (CID 122581998) is 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is Fc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C34CC3C4)cc21.
What is the InChIKey of 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The InChIKey is QTBYVANUFLDTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O/c25-18-4-2-1-3-16(18)22-17-7-14(24-8-15(24)9-24)5-6-19(17)29-12-28-23(20(29)10-27-22)21-11-26-13-30-21/h1-7,11-13,15H,8-10H2.
What are the key properties of 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole has a molecular weight of 396.43 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is sourced from PubChem (CID 122581998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).