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

C17H16ClN5O2 — CID 14590432

IUPAC7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCCc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1
InChIInChI=1S/C17H16ClN5O2/c1-3-5-13-20-16(21-25-13)15-12-8-22(2)17(24)14-10(18)6-4-7-11(14)23(12)9-19-15/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyCBZFZFCSCRFIEN-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.11
Rot. Bonds3

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

7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (PubChem CID 14590432) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.

Molecular Properties

Compound Name7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
PubChem CID14590432
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one
SMILESCCCc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1
InChIInChI=1S/C17H16ClN5O2/c1-3-5-13-20-16(21-25-13)15-12-8-22(2)17(24)14-10(18)6-4-7-11(14)23(12)9-19-15/h4,6-7,9H,3,5,8H2,1-2H3
InChIKeyCBZFZFCSCRFIEN-UHFFFAOYSA-N
XLogP3.11
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The IUPAC name of 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one (CID 14590432) is 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one.
What is the SMILES notation for 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The canonical SMILES for 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is CCCc1nc(-c2ncn3c2CN(C)C(=O)c2c(Cl)cccc2-3)no1.
What is the InChIKey of 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
The InChIKey is CBZFZFCSCRFIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-3-5-13-20-16(21-25-13)15-12-8-22(2)17(24)14-10(18)6-4-7-11(14)23(12)9-19-15/h4,6-7,9H,3,5,8H2,1-2H3.
What are the key properties of 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one?
7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one has a molecular weight of 357.80 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methyl-3-(5-propyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-6-one is sourced from PubChem (CID 14590432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).