1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone

C17H14F3NO3S — CID 175726499

IUPAC1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(Cc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)s1
InChIInChI=1S/C17H14F3NO3S/c1-10(22)15-7-6-13(25-15)8-11-2-4-12(5-3-11)14-9-16(23,24-21-14)17(18,19)20/h2-7,23H,8-9H2,1H3
InChIKeyWJFCTTBPOKFVGW-UHFFFAOYSA-N
MW369.36 g/mol
LogP3.92
Rot. Bonds4

About 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone

1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone (PubChem CID 175726499) has the molecular formula C17H14F3NO3S and a molecular weight of 369.36 g/mol. Its IUPAC name is 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone
PubChem CID175726499
Molecular FormulaC17H14F3NO3S
Molecular Weight369.36 g/mol
Exact Mass369.06
IUPAC Name1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(Cc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)s1
InChIInChI=1S/C17H14F3NO3S/c1-10(22)15-7-6-13(25-15)8-11-2-4-12(5-3-11)14-9-16(23,24-21-14)17(18,19)20/h2-7,23H,8-9H2,1H3
InChIKeyWJFCTTBPOKFVGW-UHFFFAOYSA-N
XLogP3.92
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophene-2-carbaldehyde
CID 155413109
3-[4-(methoxymethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155744106
3-[4-[[(4-methylphenyl)methylamino]methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 59652618
4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]benzaldehyde
CID 155412938
3-[4-[(2,6-difluoro-3-pyridinyl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412924
1-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-[(4-methoxyphenyl)methyl]urea
CID 59652493
3-[4-[(2-phenylpyrazol-3-yl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413393
(5S)-3-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 1364720
3-[4-[(phenylsulfonimidoyl)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155412933
N-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 59652423
3-(4-thiophen-3-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 155413892
3-(4-pyrimidin-5-ylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 142608931

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone (CID 175726499) is 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone is CC(=O)c1ccc(Cc2ccc(C3=NOC(O)(C(F)(F)F)C3)cc2)s1.
What is the InChIKey of 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone?
The InChIKey is WJFCTTBPOKFVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO3S/c1-10(22)15-7-6-13(25-15)8-11-2-4-12(5-3-11)14-9-16(23,24-21-14)17(18,19)20/h2-7,23H,8-9H2,1H3.
What are the key properties of 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone?
1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone has a molecular weight of 369.36 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 175726499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).