2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile

C19H17ClN4O2 — CID 170422283

IUPAC2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile
SMILESCc1cc(CC#N)cn(Cc2nc(CCc3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C19H17ClN4O2/c1-13-10-15(8-9-21)11-24(19(13)25)12-18-22-17(23-26-18)7-4-14-2-5-16(20)6-3-14/h2-3,5-6,10-11H,4,7-8,12H2,1H3
InChIKeyFIALFXJQVCWFHB-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.09
Rot. Bonds6

About 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile

2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile (PubChem CID 170422283) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile
PubChem CID170422283
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile
SMILESCc1cc(CC#N)cn(Cc2nc(CCc3ccc(Cl)cc3)no2)c1=O
InChIInChI=1S/C19H17ClN4O2/c1-13-10-15(8-9-21)11-24(19(13)25)12-18-22-17(23-26-18)7-4-14-2-5-16(20)6-3-14/h2-3,5-6,10-11H,4,7-8,12H2,1H3
InChIKeyFIALFXJQVCWFHB-UHFFFAOYSA-N
XLogP3.09
TPSA84.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile?
The IUPAC name of 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile (CID 170422283) is 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile?
The canonical SMILES for 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile is Cc1cc(CC#N)cn(Cc2nc(CCc3ccc(Cl)cc3)no2)c1=O.
What is the InChIKey of 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile?
The InChIKey is FIALFXJQVCWFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-13-10-15(8-9-21)11-24(19(13)25)12-18-22-17(23-26-18)7-4-14-2-5-16(20)6-3-14/h2-3,5-6,10-11H,4,7-8,12H2,1H3.
What are the key properties of 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile?
2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile has a molecular weight of 368.82 g/mol, XLogP of 3.09, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-[2-(4-chlorophenyl)ethyl]-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-6-oxo-3-pyridinyl]acetonitrile is sourced from PubChem (CID 170422283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).