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

C17H22N4O3 — CID 119817254

IUPAC3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(-c2noc(C(C)NC(=O)C3CCC(N)C3)n2)c1
InChIInChI=1S/C17H22N4O3/c1-10(19-16(22)12-6-7-13(18)8-12)17-20-15(21-24-17)11-4-3-5-14(9-11)23-2/h3-5,9-10,12-13H,6-8,18H2,1-2H3,(H,19,22)
InChIKeyCBACXIVTXMPNEG-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.05
Rot. Bonds5

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

3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide (PubChem CID 119817254) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
PubChem CID119817254
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(-c2noc(C(C)NC(=O)C3CCC(N)C3)n2)c1
InChIInChI=1S/C17H22N4O3/c1-10(19-16(22)12-6-7-13(18)8-12)17-20-15(21-24-17)11-4-3-5-14(9-11)23-2/h3-5,9-10,12-13H,6-8,18H2,1-2H3,(H,19,22)
InChIKeyCBACXIVTXMPNEG-UHFFFAOYSA-N
XLogP2.05
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829
(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 120796164
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342812
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449585
4-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673982
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
CID 119817246
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46128965
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 136528859
1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea
CID 154798020
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119817252
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide (CID 119817254) is 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide is COc1cccc(-c2noc(C(C)NC(=O)C3CCC(N)C3)n2)c1.
What is the InChIKey of 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide?
The InChIKey is CBACXIVTXMPNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-10(19-16(22)12-6-7-13(18)8-12)17-20-15(21-24-17)11-4-3-5-14(9-11)23-2/h3-5,9-10,12-13H,6-8,18H2,1-2H3,(H,19,22).
What are the key properties of 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide?
3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119817254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).