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

C17H16ClF3N2O3 — CID 25182169

IUPAC4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-5-7-12(24)8-6-11)23-26-15(13)9-1-3-10(4-2-9)17(19,20)21/h1-4,11-12,24H,5-8H2,(H,22,25)
InChIKeyXHNHZYYEGAEZLU-UHFFFAOYSA-N
MW388.77 g/mol
LogP4.05
Rot. Bonds3

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

4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 25182169) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID25182169
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC Name4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCC(O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-5-7-12(24)8-6-11)23-26-15(13)9-1-3-10(4-2-9)17(19,20)21/h1-4,11-12,24H,5-8H2,(H,22,25)
InChIKeyXHNHZYYEGAEZLU-UHFFFAOYSA-N
XLogP4.05
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 25182169) is 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCC(O)CC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XHNHZYYEGAEZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-5-7-12(24)8-6-11)23-26-15(13)9-1-3-10(4-2-9)17(19,20)21/h1-4,11-12,24H,5-8H2,(H,22,25).
What are the key properties of 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 388.77 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-hydroxycyclohexyl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25182169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).