1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol

C14H14F3NO2 — CID 141295985

IUPAC1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1nocc1C(O)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO2/c1-9-12(8-20-18-9)13(19)6-5-10-3-2-4-11(7-10)14(15,16)17/h2-4,7-8,13,19H,5-6H2,1H3
InChIKeyCTFNMOYWVZUPDB-UHFFFAOYSA-N
MW285.27 g/mol
LogP3.67
Rot. Bonds4

About 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol

1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 141295985) has the molecular formula C14H14F3NO2 and a molecular weight of 285.27 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID141295985
Molecular FormulaC14H14F3NO2
Molecular Weight285.27 g/mol
Exact Mass285.10
IUPAC Name1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILESCc1nocc1C(O)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO2/c1-9-12(8-20-18-9)13(19)6-5-10-3-2-4-11(7-10)14(15,16)17/h2-4,7-8,13,19H,5-6H2,1H3
InChIKeyCTFNMOYWVZUPDB-UHFFFAOYSA-N
XLogP3.67
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
sodium 1-hydroxy-3-[3-(trifluoromethyl)phenyl]propane-1-sulfonate
CID 134860445
1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
3-(aminomethyl)-5-[3-(trifluoromethyl)phenyl]pentan-1-ol;hydrochloride
CID 174355775
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
3-methyl-N-[4-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]-1,2-oxazole-4-carboxamide
CID 71071620
1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
CID 177308905
1-(4-fluoro-2-methylphenyl)-2-[3-(trifluoromethyl)phenyl]ethanol
CID 65150144
3-[4-[4-[4-[(1S)-1-hydroxy-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]propane-1,1-diol
CID 126659515
dimethoxy-methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 90174085

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 141295985) is 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol is Cc1nocc1C(O)CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is CTFNMOYWVZUPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-9-12(8-20-18-9)13(19)6-5-10-3-2-4-11(7-10)14(15,16)17/h2-4,7-8,13,19H,5-6H2,1H3.
What are the key properties of 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 285.27 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-4-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 141295985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).