N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

C16H17FN2O2 — CID 46472289

IUPACN-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C16H17FN2O2/c17-12-6-4-5-11(9-12)14-10-15(21-19-14)16(20)18-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,18,20)
InChIKeyZFFSUEYIVVASIA-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.54
Rot. Bonds3

About N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide

N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (PubChem CID 46472289) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
PubChem CID46472289
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC NameN-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(-c2cccc(F)c2)no1
InChIInChI=1S/C16H17FN2O2/c17-12-6-4-5-11(9-12)14-10-15(21-19-14)16(20)18-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,18,20)
InChIKeyZFFSUEYIVVASIA-UHFFFAOYSA-N
XLogP3.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R,2R,3R)-2,3-dihydroxycycloheptyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 110164148
3-(3-fluorophenyl)-N-[3-(methylsulfonylmethyl)cyclobutyl]-1,2-oxazole-5-carboxamide
CID 167981021
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 46385501
N-cyclobutyl-5-(3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 144981703
N-cyclohexyl-1-ethyl-3-(3-fluorophenyl)pyrazole-5-carboxamide
CID 46105451
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
N-cyclopentyl-3-[1-[3-(3-fluorophenoxy)propanoyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 92568898
3-(3-fluorophenyl)-N-[3-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 46472508
N-[2,6-di(propan-2-yl)phenyl]-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 43068883
(3S)-1-[3-(3-fluorophenyl)-1,2-oxazole-5-carbonyl]pyrrolidine-3-carboxamide
CID 94512779
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
N'-(1,3-benzodioxole-5-carbonyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carbohydrazide
CID 46471021

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide (CID 46472289) is N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is O=C(NC1CCCCC1)c1cc(-c2cccc(F)c2)no1.
What is the InChIKey of N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZFFSUEYIVVASIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-12-6-4-5-11(9-12)14-10-15(21-19-14)16(20)18-13-7-2-1-3-8-13/h4-6,9-10,13H,1-3,7-8H2,(H,18,20).
What are the key properties of N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide?
N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 288.32 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46472289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).