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

C17H16ClF3N2O3 — CID 25182039

IUPAC4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1O)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-3-1-2-4-12(11)24)23-26-15(13)9-5-7-10(8-6-9)17(19,20)21/h5-8,11-12,24H,1-4H2,(H,22,25)/t11-,12+/m1/s1
InChIKeyXGTCOQJJUQPLBV-NEPJUHHUSA-N
MW388.77 g/mol
LogP4.05
Rot. Bonds3

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

4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 25182039) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is 4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID25182039
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC Name4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCC[C@@H]1O)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-3-1-2-4-12(11)24)23-26-15(13)9-5-7-10(8-6-9)17(19,20)21/h5-8,11-12,24H,1-4H2,(H,22,25)/t11-,12+/m1/s1
InChIKeyXGTCOQJJUQPLBV-NEPJUHHUSA-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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Related Compounds

4-chloro-N-[(1S,2R,3S,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 67121108
4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 67121077
4-fluoro-N-[(1S,3R)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 67121064
N-cyclopentyl-4-formyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 86663337
[(1S,3R)-3-[[4-chloro-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbonyl]amino]cyclopentyl] 2-aminoacetate
CID 67121063
4-chloro-N-[(1R,3R)-3-hydroxy-6-methoxy-2,3-dihydro-1H-inden-1-yl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 140563206
N-cyclopentyl-4-[(2-methylpropylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66793026
4-chloro-5-(4-fluorophenyl)-N-(oxan-4-yl)-1,2-oxazole-3-carboxamide
CID 67121088
4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 25181774
N-cyclopentyl-4-[(2-piperidin-1-ylethylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 66792958
N-(2-hydroxycyclohexyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62366302
N-(4-hydroxycyclohexyl)-4-[(propan-2-ylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 46865479

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 25182039) is 4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCCC[C@@H]1O)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is XGTCOQJJUQPLBV-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c18-13-14(16(25)22-11-3-1-2-4-12(11)24)23-26-15(13)9-5-7-10(8-6-9)17(19,20)21/h5-8,11-12,24H,1-4H2,(H,22,25)/t11-,12+/m1/s1.
What are the key properties of 4-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-chloro-N-[(1R,2S)-2-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-[(1R,2S)-2-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25182039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).