3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

C13H14F3NO2 — CID 143608209

IUPAC3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCCCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C13H14F3NO2/c1-2-4-9-5-3-6-10(7-9)11-8-12(18,19-17-11)13(14,15)16/h3,5-7,18H,2,4,8H2,1H3
InChIKeyOGRFMUNZBSFYSK-UHFFFAOYSA-N
MW273.25 g/mol
LogP3.01
Rot. Bonds3

About 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol

3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (PubChem CID 143608209) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
PubChem CID143608209
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
SMILESCCCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1
InChIInChI=1S/C13H14F3NO2/c1-2-4-9-5-3-6-10(7-9)11-8-12(18,19-17-11)13(14,15)16/h3,5-7,18H,2,4,8H2,1H3
InChIKeyOGRFMUNZBSFYSK-UHFFFAOYSA-N
XLogP3.01
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 67362753
1-benzyl-3-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]urea
CID 59652464
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 59652669
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-4-methoxybenzenesulfonamide
CID 25030251
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]quinoline-2-carboxamide
CID 59652607
3-amino-N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]benzamide
CID 67593914
(5R)-3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 690721
3-naphthalen-2-yl-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 2742980
1-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-3-(2-methoxyphenyl)urea
CID 59652452
3-[3-[(quinolin-8-ylmethylamino)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 59652450
N-[[3-[5-hydroxy-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]methyl]-1-methylimidazole-4-sulfonamide
CID 59652518
3-[3-[(1H-indol-4-ylmethylamino)methyl]phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol
CID 59652629

Frequently Asked Questions

What is the IUPAC name of 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol (CID 143608209) is 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is CCCc1cccc(C2=NOC(O)(C(F)(F)F)C2)c1.
What is the InChIKey of 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is OGRFMUNZBSFYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-2-4-9-5-3-6-10(7-9)11-8-12(18,19-17-11)13(14,15)16/h3,5-7,18H,2,4,8H2,1H3.
What are the key properties of 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol?
3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 273.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-propylphenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 143608209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).