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

C18H17N5O2 — CID 21291960

IUPAC3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1cccc2c1C(=O)N(C)Cc1c(-c3nc(C4CC4)no3)ncn1-2
InChIInChI=1S/C18H17N5O2/c1-10-4-3-5-12-14(10)18(24)22(2)8-13-15(19-9-23(12)13)17-20-16(21-25-17)11-6-7-11/h3-5,9,11H,6-8H2,1-2H3
InChIKeyWGUASDIXDDPDDU-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.69
Rot. Bonds2

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

3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 21291960) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID21291960
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCc1cccc2c1C(=O)N(C)Cc1c(-c3nc(C4CC4)no3)ncn1-2
InChIInChI=1S/C18H17N5O2/c1-10-4-3-5-12-14(10)18(24)22(2)8-13-15(19-9-23(12)13)17-20-16(21-25-17)11-6-7-11/h3-5,9,11H,6-8H2,1-2H3
InChIKeyWGUASDIXDDPDDU-UHFFFAOYSA-N
XLogP2.69
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 21291960) is 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is Cc1cccc2c1C(=O)N(C)Cc1c(-c3nc(C4CC4)no3)ncn1-2.
What is the InChIKey of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is WGUASDIXDDPDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-10-4-3-5-12-14(10)18(24)22(2)8-13-15(19-9-23(12)13)17-20-16(21-25-17)11-6-7-11/h3-5,9,11H,6-8H2,1-2H3.
What are the key properties of 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 335.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-5,7-dimethyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 21291960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).