1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one

C19H14ClN5O3 — CID 71794585

IUPAC1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
SMILESO=c1c(-c2nc(C3CC3)no2)cccn1Cc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H14ClN5O3/c20-14-6-2-1-4-12(14)17-21-15(23-27-17)10-25-9-3-5-13(19(25)26)18-22-16(24-28-18)11-7-8-11/h1-6,9,11H,7-8,10H2
InChIKeyKYTJZPMRNVFUBS-UHFFFAOYSA-N
MW395.81 g/mol
LogP3.53
Rot. Bonds5

About 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one

1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one (PubChem CID 71794585) has the molecular formula C19H14ClN5O3 and a molecular weight of 395.81 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
PubChem CID71794585
Molecular FormulaC19H14ClN5O3
Molecular Weight395.81 g/mol
Exact Mass395.08
IUPAC Name1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one
SMILESO=c1c(-c2nc(C3CC3)no2)cccn1Cc1noc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H14ClN5O3/c20-14-6-2-1-4-12(14)17-21-15(23-27-17)10-25-9-3-5-13(19(25)26)18-22-16(24-28-18)11-7-8-11/h1-6,9,11H,7-8,10H2
InChIKeyKYTJZPMRNVFUBS-UHFFFAOYSA-N
XLogP3.53
TPSA99.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.81
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The IUPAC name of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one (CID 71794585) is 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The canonical SMILES for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one is O=c1c(-c2nc(C3CC3)no2)cccn1Cc1noc(-c2ccccc2Cl)n1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
The InChIKey is KYTJZPMRNVFUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN5O3/c20-14-6-2-1-4-12(14)17-21-15(23-27-17)10-25-9-3-5-13(19(25)26)18-22-16(24-28-18)11-7-8-11/h1-6,9,11H,7-8,10H2.
What are the key properties of 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one?
1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one has a molecular weight of 395.81 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridin-2-one is sourced from PubChem (CID 71794585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).