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

C23H17FN4O — CID 122582011

IUPAC5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
SMILESFc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21
InChIInChI=1S/C23H17FN4O/c24-18-4-2-1-3-16(18)22-17-9-15(14-5-6-14)7-8-19(17)28-12-27-23(20(28)10-26-22)21-11-25-13-29-21/h1-4,7-9,11-14H,5-6,10H2
InChIKeyAHHRNIWNUOYJMB-UHFFFAOYSA-N
MW384.41 g/mol
LogP4.89
Rot. Bonds3

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

5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (PubChem CID 122582011) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
PubChem CID122582011
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole
SMILESFc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21
InChIInChI=1S/C23H17FN4O/c24-18-4-2-1-3-16(18)22-17-9-15(14-5-6-14)7-8-19(17)28-12-27-23(20(28)10-26-22)21-11-25-13-29-21/h1-4,7-9,11-14H,5-6,10H2
InChIKeyAHHRNIWNUOYJMB-UHFFFAOYSA-N
XLogP4.89
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole (CID 122582011) is 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is Fc1ccccc1C1=NCc2c(-c3cnco3)ncn2-c2ccc(C3CC3)cc21.
What is the InChIKey of 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
The InChIKey is AHHRNIWNUOYJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-18-4-2-1-3-16(18)22-17-9-15(14-5-6-14)7-8-19(17)28-12-27-23(20(28)10-26-22)21-11-25-13-29-21/h1-4,7-9,11-14H,5-6,10H2.
What are the key properties of 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole?
5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole has a molecular weight of 384.41 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-cyclopropyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]-1,3-oxazole is sourced from PubChem (CID 122582011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).