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

C25H19FN4O — CID 122581997

IUPAC5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
SMILESC[C@H]1N=C(c2ccccc2F)c2cc(C34CC3C4)ccc2-n2cnc(-c3cnco3)c21
InChIInChI=1S/C25H19FN4O/c1-14-24-23(21-11-27-13-31-21)28-12-30(24)20-7-6-15(25-9-16(25)10-25)8-18(20)22(29-14)17-4-2-3-5-19(17)26/h2-8,11-14,16H,9-10H2,1H3/t14-,16?,25?/m1/s1
InChIKeyXBWBILKRGSKPJN-ADLCRFSISA-N
MW410.45 g/mol
LogP5.24
Rot. Bonds3

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

5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (PubChem CID 122581997) has the molecular formula C25H19FN4O and a molecular weight of 410.45 g/mol. Its IUPAC name is 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
PubChem CID122581997
Molecular FormulaC25H19FN4O
Molecular Weight410.45 g/mol
Exact Mass410.15
IUPAC Name5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
SMILESC[C@H]1N=C(c2ccccc2F)c2cc(C34CC3C4)ccc2-n2cnc(-c3cnco3)c21
InChIInChI=1S/C25H19FN4O/c1-14-24-23(21-11-27-13-31-21)28-12-30(24)20-7-6-15(25-9-16(25)10-25)8-18(20)22(29-14)17-4-2-3-5-19(17)26/h2-8,11-14,16H,9-10H2,1H3/t14-,16?,25?/m1/s1
InChIKeyXBWBILKRGSKPJN-ADLCRFSISA-N
XLogP5.24
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.45
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-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-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (CID 122581997) is 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is C[C@H]1N=C(c2ccccc2F)c2cc(C34CC3C4)ccc2-n2cnc(-c3cnco3)c21.
What is the InChIKey of 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The InChIKey is XBWBILKRGSKPJN-ADLCRFSISA-N. The full InChI is InChI=1S/C25H19FN4O/c1-14-24-23(21-11-27-13-31-21)28-12-30(24)20-7-6-15(25-9-16(25)10-25)8-18(20)22(29-14)17-4-2-3-5-19(17)26/h2-8,11-14,16H,9-10H2,1H3/t14-,16?,25?/m1/s1.
What are the key properties of 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole has a molecular weight of 410.45 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-8-(1-bicyclo[1.1.0]butanyl)-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is sourced from PubChem (CID 122581997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).