(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide

C17H18ClN3O2 — CID 97089634

IUPAC(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESC[C@H](NC(=O)C1[C@H]2CCC[C@@H]12)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN3O2/c1-9(19-16(22)14-12-3-2-4-13(12)14)15-20-17(23-21-15)10-5-7-11(18)8-6-10/h5-9,12-14H,2-4H2,1H3,(H,19,22)/t9-,12-,13+,14?/m0/s1
InChIKeyCHSUYFNEWLTVKV-PRDYLTDRSA-N
MW331.80 g/mol
LogP3.61
Rot. Bonds4

About (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide

(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 97089634) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID97089634
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
SMILESC[C@H](NC(=O)C1[C@H]2CCC[C@@H]12)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C17H18ClN3O2/c1-9(19-16(22)14-12-3-2-4-13(12)14)15-20-17(23-21-15)10-5-7-11(18)8-6-10/h5-9,12-14H,2-4H2,1H3,(H,19,22)/t9-,12-,13+,14?/m0/s1
InChIKeyCHSUYFNEWLTVKV-PRDYLTDRSA-N
XLogP3.61
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 119344422
(2S)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide;hydrochloride
CID 119344413
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820192
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
CID 96559354
1-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551988
N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
CID 96559357
1-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3-hydroxybutyl)urea
CID 111861205
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 119813900
2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-N,N-dimethylpropanamide
CID 75521519
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 96559361
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71860913
(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-[[(1R)-cyclohex-3-en-1-yl]methyl]ethanamine
CID 99816062

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide (CID 97089634) is (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide is C[C@H](NC(=O)C1[C@H]2CCC[C@@H]12)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is CHSUYFNEWLTVKV-PRDYLTDRSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-9(19-16(22)14-12-3-2-4-13(12)14)15-20-17(23-21-15)10-5-7-11(18)8-6-10/h5-9,12-14H,2-4H2,1H3,(H,19,22)/t9-,12-,13+,14?/m0/s1.
What are the key properties of (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide?
(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 97089634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).