N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide

C13H17F3N2O2 — CID 71858992

IUPACN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1ccon1)N(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)7-8-18(10-4-2-1-3-5-10)12(19)11-6-9-20-17-11/h6,9-10H,1-5,7-8H2
InChIKeyDAURNWKBMJFNGG-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.40
Rot. Bonds4

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

N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide (PubChem CID 71858992) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide
PubChem CID71858992
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide
SMILESO=C(c1ccon1)N(CCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C13H17F3N2O2/c14-13(15,16)7-8-18(10-4-2-1-3-5-10)12(19)11-6-9-20-17-11/h6,9-10H,1-5,7-8H2
InChIKeyDAURNWKBMJFNGG-UHFFFAOYSA-N
XLogP3.40
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-Trifluoroethyl)-1,2-Oxazole-3-Carboxamide
CID 117587701
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine
CID 71973879
3-(Piperidinocarbonyl)isoxazole
CID 61565011
1,3,3a,4,5,6,7,7a-Octahydroisoindol-2-yl(1,2-oxazol-3-yl)methanone
CID 71861401
(2-Methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-(1,2-oxazol-3-yl)methanone
CID 71930519
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N-propyl-1,2-oxazole-3-carboxamide
CID 72128596
2-azocan-1-yl-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 86286853
[4-(2-Ethoxyethyl)piperazin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 132377234
(4-Methoxy-4-methylpiperidin-1-yl)-(1,2-oxazol-3-yl)methanone
CID 136520423
N-[(2S)-4-methyl-1-pyrrolidin-1-ylpentan-2-yl]-1,2-oxazole-3-carboxamide
CID 137993278
N-[1-(4,4,4-trifluorobutyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 117970054
N-[(3S,4R)-4-methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 140808748

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide (CID 71858992) is N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide is O=C(c1ccon1)N(CCC(F)(F)F)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DAURNWKBMJFNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c14-13(15,16)7-8-18(10-4-2-1-3-5-10)12(19)11-6-9-20-17-11/h6,9-10H,1-5,7-8H2.
What are the key properties of N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide?
N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71858992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).