N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide

C18H23N3O3 — CID 7449585

IUPACN-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2noc([C@H](C)NC(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(19-17(22)14-6-4-3-5-7-14)18-20-16(21-24-18)13-8-10-15(23-2)11-9-13/h8-12,14H,3-7H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyGTYBIRIXXBIECN-LBPRGKRZSA-N
MW329.40 g/mol
LogP3.50
Rot. Bonds5

About N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide

N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide (PubChem CID 7449585) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
PubChem CID7449585
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2noc([C@H](C)NC(=O)C3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N3O3/c1-12(19-17(22)14-6-4-3-5-7-14)18-20-16(21-24-18)13-8-10-15(23-2)11-9-13/h8-12,14H,3-7H2,1-2H3,(H,19,22)/t12-/m0/s1
InChIKeyGTYBIRIXXBIECN-LBPRGKRZSA-N
XLogP3.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclobutanecarboxamide
CID 91635790
N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]cyclohexanecarboxamide
CID 6458644
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 83280920
N-[1-[3-[4-(aminomethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 120893433
N-[(1S)-1-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 7449613
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46128965
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]pyridine-4-carboxamide
CID 92717337
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
5-[1-(cyclopentanecarbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 162798343
N-[(1S)-1-[3-[2-(trifluoromethyl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 167524017
tert-butyl N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 56770452
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide (CID 7449585) is N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide is COc1ccc(-c2noc([C@H](C)NC(=O)C3CCCCC3)n2)cc1.
What is the InChIKey of N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is GTYBIRIXXBIECN-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12(19-17(22)14-6-4-3-5-7-14)18-20-16(21-24-18)13-8-10-15(23-2)11-9-13/h8-12,14H,3-7H2,1-2H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide?
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 7449585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).