7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

C15H12FN5O2 — CID 14590414

IUPAC7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1
InChIInChI=1S/C15H12FN5O2/c1-8-18-14(23-19-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13/h3-5,7H,6H2,1-2H3
InChIKeyKAQAEIUGWCDNND-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.96
Rot. Bonds1

About 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 14590414) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID14590414
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1
InChIInChI=1S/C15H12FN5O2/c1-8-18-14(23-19-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13/h3-5,7H,6H2,1-2H3
InChIKeyKAQAEIUGWCDNND-UHFFFAOYSA-N
XLogP1.96
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 14590414) is 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is Cc1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1.
What is the InChIKey of 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is KAQAEIUGWCDNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c1-8-18-14(23-19-8)13-11-6-20(2)15(22)12-9(16)4-3-5-10(12)21(11)7-17-13/h3-5,7H,6H2,1-2H3.
What are the key properties of 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 313.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14590414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).