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

C16H15N5O3 — CID 21291962

IUPAC8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCOc1ccc2c(c1)C(=O)N(C)Cc1c(-c3nc(C)no3)ncn1-2
InChIInChI=1S/C16H15N5O3/c1-9-18-15(24-19-9)14-13-7-20(2)16(22)11-6-10(23-3)4-5-12(11)21(13)8-17-14/h4-6,8H,7H2,1-3H3
InChIKeyIBNIIJKCGJDIHU-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.82
Rot. Bonds2

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

8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 21291962) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID21291962
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCOc1ccc2c(c1)C(=O)N(C)Cc1c(-c3nc(C)no3)ncn1-2
InChIInChI=1S/C16H15N5O3/c1-9-18-15(24-19-9)14-13-7-20(2)16(22)11-6-10(23-3)4-5-12(11)21(13)8-17-14/h4-6,8H,7H2,1-3H3
InChIKeyIBNIIJKCGJDIHU-UHFFFAOYSA-N
XLogP1.82
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 21291962) is 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is COc1ccc2c(c1)C(=O)N(C)Cc1c(-c3nc(C)no3)ncn1-2.
What is the InChIKey of 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is IBNIIJKCGJDIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9-18-15(24-19-9)14-13-7-20(2)16(22)11-6-10(23-3)4-5-12(11)21(13)8-17-14/h4-6,8H,7H2,1-3H3.
What are the key properties of 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 325.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 21291962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).