3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C16H17F3N2O3 — CID 97059016

IUPAC3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O3/c1-3-12-14(9(2)24-21-12)15(23)20-8-13(22)10-5-4-6-11(7-10)16(17,18)19/h4-7,13,22H,3,8H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyCHIULXAMPITCRK-CYBMUJFWSA-N
MW342.32 g/mol
LogP3.03
Rot. Bonds5

About 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 97059016) has the molecular formula C16H17F3N2O3 and a molecular weight of 342.32 g/mol. Its IUPAC name is 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID97059016
Molecular FormulaC16H17F3N2O3
Molecular Weight342.32 g/mol
Exact Mass342.12
IUPAC Name3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N2O3/c1-3-12-14(9(2)24-21-12)15(23)20-8-13(22)10-5-4-6-11(7-10)16(17,18)19/h4-7,13,22H,3,8H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyCHIULXAMPITCRK-CYBMUJFWSA-N
XLogP3.03
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 102602799
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
3-hydroxy-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-4-methylbenzamide
CID 110014991
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 56783587
3-ethyl-N-[(2S)-3-ethyl-2-hydroxypentyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 96996290
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-4-carboxamide
CID 111108640
5-chloro-N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]pyridine-2-carboxamide
CID 111434796
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-(2-methylcyclopropyl)urea
CID 111108610
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propylsulfanylacetamide
CID 111108741
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 97059016) is 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is CHIULXAMPITCRK-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17F3N2O3/c1-3-12-14(9(2)24-21-12)15(23)20-8-13(22)10-5-4-6-11(7-10)16(17,18)19/h4-7,13,22H,3,8H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2S)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97059016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).