N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide

C14H13F3N2O3 — CID 138053674

IUPACN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O3/c1-8-10(7-22-19-8)13(21)18-12(6-20)9-4-2-3-5-11(9)14(15,16)17/h2-5,7,12,20H,6H2,1H3,(H,18,21)
InChIKeyQYQJFAPRQPGKLF-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.47
Rot. Bonds4

About N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide

N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide (PubChem CID 138053674) has the molecular formula C14H13F3N2O3 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
PubChem CID138053674
Molecular FormulaC14H13F3N2O3
Molecular Weight314.26 g/mol
Exact Mass314.09
IUPAC NameN-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide
SMILESCc1nocc1C(=O)NC(CO)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H13F3N2O3/c1-8-10(7-22-19-8)13(21)18-12(6-20)9-4-2-3-5-11(9)14(15,16)17/h2-5,7,12,20H,6H2,1H3,(H,18,21)
InChIKeyQYQJFAPRQPGKLF-UHFFFAOYSA-N
XLogP2.47
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-2-methyl-1,2,4-triazole-3-carboxamide
CID 138052493
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-2-[2-(trifluoromethyl)phenyl]ethanol
CID 138051733
N-[6-amino-5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 25155167
4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 138024674
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyloxetane-3-carboxamide
CID 138024701
N-[2-methylsulfanyl-1-[2-(trifluoromethyl)phenyl]ethyl]acetamide
CID 154491929
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]ethanol
CID 61049420
4-bromo-N-[1-[2-(trifluoromethyl)phenyl]propyl]furan-2-carboxamide
CID 175265270
1-[(4-ethyl-1H-pyrazol-5-yl)methyl]-3-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]urea
CID 167756112
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide (CID 138053674) is N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide is Cc1nocc1C(=O)NC(CO)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QYQJFAPRQPGKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3/c1-8-10(7-22-19-8)13(21)18-12(6-20)9-4-2-3-5-11(9)14(15,16)17/h2-5,7,12,20H,6H2,1H3,(H,18,21).
What are the key properties of N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide?
N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 314.26 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-3-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 138053674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).