N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide

C23H20F4N2O2 — CID 172618137

IUPACN-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1F)C1CCCC(c2ccc(-c3cnoc3)cc2)C1
InChIInChI=1S/C23H20F4N2O2/c24-20-11-19(23(25,26)27)8-9-21(20)29-22(30)17-3-1-2-16(10-17)14-4-6-15(7-5-14)18-12-28-31-13-18/h4-9,11-13,16-17H,1-3,10H2,(H,29,30)
InChIKeyPXKSWGMTEXNBNY-UHFFFAOYSA-N
MW432.42 g/mol
LogP6.41
Rot. Bonds4

About N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide

N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 172618137) has the molecular formula C23H20F4N2O2 and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID172618137
Molecular FormulaC23H20F4N2O2
Molecular Weight432.42 g/mol
Exact Mass432.15
IUPAC NameN-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1F)C1CCCC(c2ccc(-c3cnoc3)cc2)C1
InChIInChI=1S/C23H20F4N2O2/c24-20-11-19(23(25,26)27)8-9-21(20)29-22(30)17-3-1-2-16(10-17)14-4-6-15(7-5-14)18-12-28-31-13-18/h4-9,11-13,16-17H,1-3,10H2,(H,29,30)
InChIKeyPXKSWGMTEXNBNY-UHFFFAOYSA-N
XLogP6.41
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide (CID 172618137) is N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1F)C1CCCC(c2ccc(-c3cnoc3)cc2)C1.
What is the InChIKey of N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is PXKSWGMTEXNBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F4N2O2/c24-20-11-19(23(25,26)27)8-9-21(20)29-22(30)17-3-1-2-16(10-17)14-4-6-15(7-5-14)18-12-28-31-13-18/h4-9,11-13,16-17H,1-3,10H2,(H,29,30).
What are the key properties of N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide?
N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 432.42 g/mol, XLogP of 6.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(trifluoromethyl)phenyl]-3-[4-(1,2-oxazol-4-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 172618137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).