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

C17H17N5O2 — CID 14590425

IUPAC5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCCc1nc(-c2ncn3c2CN(C)C(=O)c2ccccc2-3)no1
InChIInChI=1S/C17H17N5O2/c1-3-6-14-19-16(20-24-14)15-13-9-21(2)17(23)11-7-4-5-8-12(11)22(13)10-18-15/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyGYKPRYAIPWKQMK-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.46
Rot. Bonds3

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

5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 14590425) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID14590425
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCCc1nc(-c2ncn3c2CN(C)C(=O)c2ccccc2-3)no1
InChIInChI=1S/C17H17N5O2/c1-3-6-14-19-16(20-24-14)15-13-9-21(2)17(23)11-7-4-5-8-12(11)22(13)10-18-15/h4-5,7-8,10H,3,6,9H2,1-2H3
InChIKeyGYKPRYAIPWKQMK-UHFFFAOYSA-N
XLogP2.46
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 14590425) is 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCCc1nc(-c2ncn3c2CN(C)C(=O)c2ccccc2-3)no1.
What is the InChIKey of 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is GYKPRYAIPWKQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-3-6-14-19-16(20-24-14)15-13-9-21(2)17(23)11-7-4-5-8-12(11)22(13)10-18-15/h4-5,7-8,10H,3,6,9H2,1-2H3.
What are the key properties of 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 323.36 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14590425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).