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

C16H19ClN4O2 — CID 119326198

IUPAC1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)CCCC1
InChIInChI=1S/C16H19ClN4O2/c17-12-5-3-4-11(10-12)14-20-13(23-21-14)6-9-19-15(22)16(18)7-1-2-8-16/h3-5,10H,1-2,6-9,18H2,(H,19,22)
InChIKeyMYJMWXZZWFEJIH-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.32
Rot. Bonds5

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

1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide (PubChem CID 119326198) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
PubChem CID119326198
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)CCCC1
InChIInChI=1S/C16H19ClN4O2/c17-12-5-3-4-11(10-12)14-20-13(23-21-14)6-9-19-15(22)16(18)7-1-2-8-16/h3-5,10H,1-2,6-9,18H2,(H,19,22)
InChIKeyMYJMWXZZWFEJIH-UHFFFAOYSA-N
XLogP2.32
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119326205
(2R)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 119326200
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 119787997
2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 119326202
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119326195
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119326204
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 54924452
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
3-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl-methylamino]propanoic acid
CID 122002325
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119326179
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 95627860

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide (CID 119326198) is 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide is NC1(C(=O)NCCc2nc(-c3cccc(Cl)c3)no2)CCCC1.
What is the InChIKey of 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is MYJMWXZZWFEJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-12-5-3-4-11(10-12)14-20-13(23-21-14)6-9-19-15(22)16(18)7-1-2-8-16/h3-5,10H,1-2,6-9,18H2,(H,19,22).
What are the key properties of 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide?
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119326198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).