N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

C17H18ClN3O2 — CID 95627860

IUPACN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NCCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H18ClN3O2/c18-14-7-3-6-13(11-14)17-20-16(23-21-17)8-9-19-15(22)10-12-4-1-2-5-12/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,19,22)/t12-/m0/s1
InChIKeyPBVCJYKTWPLLHL-LBPRGKRZSA-N
MW331.80 g/mol
LogP3.40
Rot. Bonds6

About N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (PubChem CID 95627860) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
PubChem CID95627860
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
SMILESO=C(C[C@H]1C=CCC1)NCCc1nc(-c2cccc(Cl)c2)no1
InChIInChI=1S/C17H18ClN3O2/c18-14-7-3-6-13(11-14)17-20-16(23-21-17)8-9-19-15(22)10-12-4-1-2-5-12/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,19,22)/t12-/m0/s1
InChIKeyPBVCJYKTWPLLHL-LBPRGKRZSA-N
XLogP3.40
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119326195
(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]piperidine-3-carboxamide
CID 119326204
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119326198
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 110330804
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methyl-3-(methylamino)propanamide
CID 119787997
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 56791232
1-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119326205
(1S)-N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 95628511
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]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119787986
(2S)-2-amino-N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-4-methylpentanamide;hydrochloride
CID 119788016

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The IUPAC name of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide (CID 95627860) is N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is O=C(C[C@H]1C=CCC1)NCCc1nc(-c2cccc(Cl)c2)no1.
What is the InChIKey of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
The InChIKey is PBVCJYKTWPLLHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-7-3-6-13(11-14)17-20-16(23-21-17)8-9-19-15(22)10-12-4-1-2-5-12/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide?
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide has a molecular weight of 331.80 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 95627860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).