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

C17H16FN5O2 — CID 14590417

IUPAC7-fluoro-5-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(C)c1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1
InChIInChI=1S/C17H16FN5O2/c1-9(2)15-20-16(25-21-15)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3
InChIKeyCOHSWIFPCYTHTJ-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.77
Rot. Bonds2

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

7-fluoro-5-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 14590417) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 7-fluoro-5-methyl-3-(3-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID14590417
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name7-fluoro-5-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(C)c1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1
InChIInChI=1S/C17H16FN5O2/c1-9(2)15-20-16(25-21-15)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3
InChIKeyCOHSWIFPCYTHTJ-UHFFFAOYSA-N
XLogP2.77
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.77
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-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 14590417) is 7-fluoro-5-methyl-3-(3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CC(C)c1noc(-c2ncn3c2CN(C)C(=O)c2c(F)cccc2-3)n1.
What is the InChIKey of 7-fluoro-5-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is COHSWIFPCYTHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-9(2)15-20-16(25-21-15)14-12-7-22(3)17(24)13-10(18)5-4-6-11(13)23(12)8-19-14/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 7-fluoro-5-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
7-fluoro-5-methyl-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 341.35 g/mol, XLogP of 2.77, 2 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-propan-2-yl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14590417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).