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

C16H14ClF3N2O3 — CID 25181908

IUPAC4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C16H14ClF3N2O3/c17-12-13(15(23)21-11-5-7-24-8-6-11)22-25-14(12)9-1-3-10(4-2-9)16(18,19)20/h1-4,11H,5-8H2,(H,21,23)
InChIKeyLIDGBRAZRUHROL-UHFFFAOYSA-N
MW374.75 g/mol
LogP3.92
Rot. Bonds3

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

4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 25181908) has the molecular formula C16H14ClF3N2O3 and a molecular weight of 374.75 g/mol. Its IUPAC name is 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID25181908
Molecular FormulaC16H14ClF3N2O3
Molecular Weight374.75 g/mol
Exact Mass374.06
IUPAC Name4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCOCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl
InChIInChI=1S/C16H14ClF3N2O3/c17-12-13(15(23)21-11-5-7-24-8-6-11)22-25-14(12)9-1-3-10(4-2-9)16(18,19)20/h1-4,11H,5-8H2,(H,21,23)
InChIKeyLIDGBRAZRUHROL-UHFFFAOYSA-N
XLogP3.92
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.75
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,3S)-4-chloro-N-(3-hydroxycyclohexyl)-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide
CID 25181771
4-chloro-5-(4-chloro-3-fluorophenyl)-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 25181773
4-chloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[(1R,3S)-3-hydroxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 25182447
N-[(1R,3S)-3-hydroxycyclohexyl]-4-[(2-methylpropylamino)methyl]-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 52918271
N-[(1R,3S)-3-hydroxycyclohexyl]-5-[4-(trifluoromethyl)phenyl]-4-[[[(2S)-1,1,1-trifluoropropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 54586192
N-cyclohexyl-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093785
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
5-(2-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 1093869
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
5-(4-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 17252724
4-Chloro-n-cyclopentyl-5-(4-(trifluoromethyl)phenyl)isoxazole-3-carboxamide
CID 25147549
4-Chloro-5-(4-chlorophenyl)-N-((1R,3S)-3-hydroxycyclohexyl)isoxazole-3-carboxamide
CID 25181625

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 25181908) is 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(NC1CCOCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl.
What is the InChIKey of 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is LIDGBRAZRUHROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O3/c17-12-13(15(23)21-11-5-7-24-8-6-11)22-25-14(12)9-1-3-10(4-2-9)16(18,19)20/h1-4,11H,5-8H2,(H,21,23).
What are the key properties of 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide?
4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 374.75 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(oxan-4-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 25181908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).