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

C16H14ClN5O2 — CID 14590427

IUPAC7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1
InChIInChI=1S/C16H14ClN5O2/c1-3-12-19-15(20-24-12)14-11-7-21(2)16(23)13-9(17)5-4-6-10(13)22(11)8-18-14/h4-6,8H,3,7H2,1-2H3
InChIKeyOVQJRRMRUFDRCI-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.72
Rot. Bonds2

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

7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 14590427) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID14590427
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1
InChIInChI=1S/C16H14ClN5O2/c1-3-12-19-15(20-24-12)14-11-7-21(2)16(23)13-9(17)5-4-6-10(13)22(11)8-18-14/h4-6,8H,3,7H2,1-2H3
InChIKeyOVQJRRMRUFDRCI-UHFFFAOYSA-N
XLogP2.72
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 14590427) is 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1.
What is the InChIKey of 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is OVQJRRMRUFDRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-3-12-19-15(20-24-12)14-11-7-21(2)16(23)13-9(17)5-4-6-10(13)22(11)8-18-14/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 343.77 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(5-ethyl-1,2,4-oxadiazol-3-yl)-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14590427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).