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

C17H17N5O2 — CID 14590426

IUPAC5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(C)c1nc(-c2ncn3c2CN(C)C(=O)c2ccccc2-3)no1
InChIInChI=1S/C17H17N5O2/c1-10(2)16-19-15(20-24-16)14-13-8-21(3)17(23)11-6-4-5-7-12(11)22(13)9-18-14/h4-7,9-10H,8H2,1-3H3
InChIKeyZWRHVYRURCYQDF-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.63
Rot. Bonds2

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

5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 14590426) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID14590426
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCC(C)c1nc(-c2ncn3c2CN(C)C(=O)c2ccccc2-3)no1
InChIInChI=1S/C17H17N5O2/c1-10(2)16-19-15(20-24-16)14-13-8-21(3)17(23)11-6-4-5-7-12(11)22(13)9-18-14/h4-7,9-10H,8H2,1-3H3
InChIKeyZWRHVYRURCYQDF-UHFFFAOYSA-N
XLogP2.63
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.63
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-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 14590426) is 5-methyl-3-(5-propan-2-yl-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-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CC(C)c1nc(-c2ncn3c2CN(C)C(=O)c2ccccc2-3)no1.
What is the InChIKey of 5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is ZWRHVYRURCYQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-10(2)16-19-15(20-24-16)14-13-8-21(3)17(23)11-6-4-5-7-12(11)22(13)9-18-14/h4-7,9-10H,8H2,1-3H3.
What are the key properties of 5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
5-methyl-3-(5-propan-2-yl-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 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14590426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).