2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide

C15H14F3N3O3 — CID 154786220

IUPAC2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)co1)N1CCCC1c1ccc(O)cc1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)12-8-24-13(19-12)20-14(23)21-7-1-2-11(21)9-3-5-10(22)6-4-9/h3-6,8,11,22H,1-2,7H2,(H,19,20,23)
InChIKeyILCGWUNFRLUNII-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.77
Rot. Bonds2

About 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide

2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 154786220) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID154786220
Molecular FormulaC15H14F3N3O3
Molecular Weight341.29 g/mol
Exact Mass341.10
IUPAC Name2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1nc(C(F)(F)F)co1)N1CCCC1c1ccc(O)cc1
InChIInChI=1S/C15H14F3N3O3/c16-15(17,18)12-8-24-13(19-12)20-14(23)21-7-1-2-11(21)9-3-5-10(22)6-4-9/h3-6,8,11,22H,1-2,7H2,(H,19,20,23)
InChIKeyILCGWUNFRLUNII-UHFFFAOYSA-N
XLogP3.77
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-1-[2-(4-hydroxyphenyl)pyrrolidin-1-yl]ethanone
CID 171086663
(2S)-1-(4-chlorophenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-2-carboxamide
CID 46843504
(2S)-2-(4-hydroxyphenyl)-N-(2-pyrrolidin-1-yl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 52510173
2-(4-hydroxyphenyl)-N-(6-methoxypyrimidin-4-yl)pyrrolidine-1-carboxamide
CID 136562751
(2R)-N-(2-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 52516414
2-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 140707313
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2S)-N-(1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 41327154
(2S)-N-(2,4-difluorophenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 94080873
pyridin-4-yl-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]methanone
CID 110669976
(2S)-2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 94143800
2-(4-methoxyphenyl)-N-propan-2-ylpyrrolidine-1-carboxamide
CID 47173608

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide (CID 154786220) is 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1nc(C(F)(F)F)co1)N1CCCC1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is ILCGWUNFRLUNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c16-15(17,18)12-8-24-13(19-12)20-14(23)21-7-1-2-11(21)9-3-5-10(22)6-4-9/h3-6,8,11,22H,1-2,7H2,(H,19,20,23).
What are the key properties of 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide?
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 3.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)-1,3-oxazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 154786220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).