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

C15H12FN5O2 — CID 14590439

IUPAC8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1nc(-c2ncn3c2CN(C)C(=O)c2cc(F)ccc2-3)no1
InChIInChI=1S/C15H12FN5O2/c1-8-18-14(19-23-8)13-12-6-20(2)15(22)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7H,6H2,1-2H3
InChIKeyKUUHYDNMLZRMHO-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.96
Rot. Bonds1

About 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one

8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 14590439) has the molecular formula C15H12FN5O2 and a molecular weight of 313.29 g/mol. Its IUPAC name is 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID14590439
Molecular FormulaC15H12FN5O2
Molecular Weight313.29 g/mol
Exact Mass313.10
IUPAC Name8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1nc(-c2ncn3c2CN(C)C(=O)c2cc(F)ccc2-3)no1
InChIInChI=1S/C15H12FN5O2/c1-8-18-14(19-23-8)13-12-6-20(2)15(22)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7H,6H2,1-2H3
InChIKeyKUUHYDNMLZRMHO-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 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 14590439) is 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is Cc1nc(-c2ncn3c2CN(C)C(=O)c2cc(F)ccc2-3)no1.
What is the InChIKey of 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is KUUHYDNMLZRMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O2/c1-8-18-14(19-23-8)13-12-6-20(2)15(22)10-5-9(16)3-4-11(10)21(12)7-17-13/h3-5,7H,6H2,1-2H3.
What are the key properties of 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-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 8-fluoro-5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14590439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).