2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide

C21H21FN4O2 — CID 53181959

IUPAC2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1(c2nc(-c3cccnc3)no2)CCCCC1
InChIInChI=1S/C21H21FN4O2/c22-17-8-6-15(7-9-17)13-18(27)25-21(10-2-1-3-11-21)20-24-19(26-28-20)16-5-4-12-23-14-16/h4-9,12,14H,1-3,10-11,13H2,(H,25,27)
InChIKeyPJOAJRZOUAKYCG-UHFFFAOYSA-N
MW380.42 g/mol
LogP3.79
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide

2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide (PubChem CID 53181959) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
PubChem CID53181959
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NC1(c2nc(-c3cccnc3)no2)CCCCC1
InChIInChI=1S/C21H21FN4O2/c22-17-8-6-15(7-9-17)13-18(27)25-21(10-2-1-3-11-21)20-24-19(26-28-20)16-5-4-12-23-14-16/h4-9,12,14H,1-3,10-11,13H2,(H,25,27)
InChIKeyPJOAJRZOUAKYCG-UHFFFAOYSA-N
XLogP3.79
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 71792076
2-ethyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]pyrazole-3-carboxamide
CID 53181966
(2R)-2-phenyl-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]butanamide
CID 95105668
3-phenyl-N-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]propanamide
CID 53181974
2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92570901
N-[[1-(3-fluorophenyl)cyclopentyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46968502
1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine;hydrochloride
CID 119947949
5-(3-ethylpyrrolidin-3-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 63144302
5-(1,5-difluorocyclohexa-2,4-dien-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
CID 154329849
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexyl]-2-thiophen-3-ylacetamide
CID 71791995
1-(furan-2-ylmethyl)-3-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792067
1-(2-phenylethyl)-3-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea
CID 71792108

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide (CID 53181959) is 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide is O=C(Cc1ccc(F)cc1)NC1(c2nc(-c3cccnc3)no2)CCCCC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
The InChIKey is PJOAJRZOUAKYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c22-17-8-6-15(7-9-17)13-18(27)25-21(10-2-1-3-11-21)20-24-19(26-28-20)16-5-4-12-23-14-16/h4-9,12,14H,1-3,10-11,13H2,(H,25,27).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide?
2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide has a molecular weight of 380.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]acetamide is sourced from PubChem (CID 53181959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).