4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

C17H16ClF3N2O2 — CID 25182166

IUPAC4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C17H16ClF3N2O2/c18-13-14(16(24)22-12-4-2-1-3-5-12)23-25-15(13)10-6-8-11(9-7-10)17(19,20)21/h6-9,12H,1-5H2,(H,22,24)
InChIKeyCMGSPERGYLNBBU-UHFFFAOYSA-N
MW372.77 g/mol
LogP5.08
Rot. Bonds3

About 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide

4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 25182166) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID25182166
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC Name4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C17H16ClF3N2O2/c18-13-14(16(24)22-12-4-2-1-3-5-12)23-25-15(13)10-6-8-11(9-7-10)17(19,20)21/h6-9,12H,1-5H2,(H,22,24)
InChIKeyCMGSPERGYLNBBU-UHFFFAOYSA-N
XLogP5.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.77
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 25182166) is 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is CMGSPERGYLNBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c18-13-14(16(24)22-12-4-2-1-3-5-12)23-25-15(13)10-6-8-11(9-7-10)17(19,20)21/h6-9,12H,1-5H2,(H,22,24).
What are the key properties of 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 372.77 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25182166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).