N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide

C14H14ClN3O2 — CID 46128950

IUPACN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H14ClN3O2/c1-8(16-13(19)9-5-6-9)14-17-12(18-20-14)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6H2,1H3,(H,16,19)
InChIKeyWIICWIKHBOJJJZ-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.98
Rot. Bonds4

About N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide

N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide (PubChem CID 46128950) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
PubChem CID46128950
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC NameN-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide
SMILESCC(NC(=O)C1CC1)c1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C14H14ClN3O2/c1-8(16-13(19)9-5-6-9)14-17-12(18-20-14)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6H2,1H3,(H,16,19)
InChIKeyWIICWIKHBOJJJZ-UHFFFAOYSA-N
XLogP2.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 1860472
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperidine
CID 2803673
N-{[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-methyltetrahydro-2H-pyran-4-amine
CID 16190958
1-{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepan-5-one
CID 16191331
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclohexylpropanamide
CID 1250477
[2-[3-(3-Chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-cyclobutylmethanone
CID 16124095
3-chloro-4-methyl-N-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 6472998
N-[(1R)-1-[4-[5-chloro-2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-fluorophenyl]ethyl]-1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxamide
CID 10128412
(2E)-N-{[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-isopropyl-3-phenylacrylamide
CID 12004934
(S)-(2-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)piperidin-1-yl)(cyclobutyl)methanone
CID 54581625
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylpropanamide
CID 1976157
[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 2996883

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide (CID 46128950) is N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide is CC(NC(=O)C1CC1)c1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide?
The InChIKey is WIICWIKHBOJJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8(16-13(19)9-5-6-9)14-17-12(18-20-14)10-3-2-4-11(15)7-10/h2-4,7-9H,5-6H2,1H3,(H,16,19).
What are the key properties of N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide?
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46128950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).