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

C15H13N5O2 — CID 14590430

IUPAC5-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)c2ccccc2-3)no1
InChIInChI=1S/C15H13N5O2/c1-9-17-14(18-22-9)13-12-7-19(2)15(21)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8H,7H2,1-2H3
InChIKeyIDPCHNIQEJXISI-UHFFFAOYSA-N
MW295.30 g/mol
LogP1.82
Rot. Bonds1

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

5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 14590430) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID14590430
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name5-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)c2ccccc2-3)no1
InChIInChI=1S/C15H13N5O2/c1-9-17-14(18-22-9)13-12-7-19(2)15(21)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8H,7H2,1-2H3
InChIKeyIDPCHNIQEJXISI-UHFFFAOYSA-N
XLogP1.82
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.82
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-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 14590430) is 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 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 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)c2ccccc2-3)no1.
What is the InChIKey of 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is IDPCHNIQEJXISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2/c1-9-17-14(18-22-9)13-12-7-19(2)15(21)10-5-3-4-6-11(10)20(12)8-16-13/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
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 295.30 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 14590430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).