[5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol

C14H14F3NO3 — CID 68722614

IUPAC[5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
SMILESCCCc1onc(-c2ccccc2OC(F)(F)F)c1CO
InChIInChI=1S/C14H14F3NO3/c1-2-5-12-10(8-19)13(18-21-12)9-6-3-4-7-11(9)20-14(15,16)17/h3-4,6-7,19H,2,5,8H2,1H3
InChIKeyKBYVWKCVQBTWOD-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.68
Rot. Bonds5

About [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol

[5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol (PubChem CID 68722614) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
PubChem CID68722614
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name[5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
SMILESCCCc1onc(-c2ccccc2OC(F)(F)F)c1CO
InChIInChI=1S/C14H14F3NO3/c1-2-5-12-10(8-19)13(18-21-12)9-6-3-4-7-11(9)20-14(15,16)17/h3-4,6-7,19H,2,5,8H2,1H3
InChIKeyKBYVWKCVQBTWOD-UHFFFAOYSA-N
XLogP3.68
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromoethyl)-5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 174559804
6-propyl-2-[2-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 62202462
[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methanol
CID 138585053
[3-(2-methoxyphenyl)-5-methyl-1,2-oxazol-4-yl]methanol
CID 10932935
[5-methyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl] acetate
CID 175279893
4-[(3-methylphenoxy)methyl]-5-propan-2-yl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 141180512
5-chloro-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 54883856
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
5-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 138485793
3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-one
CID 155297940
4-(3-azabicyclo[3.1.1]heptan-6-yloxymethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 155401450
cis-(1R,3S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclopentan-1-amine
CID 139407011

Frequently Asked Questions

What is the IUPAC name of [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol?
The IUPAC name of [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol (CID 68722614) is [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol.
What is the SMILES notation for [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol?
The canonical SMILES for [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol is CCCc1onc(-c2ccccc2OC(F)(F)F)c1CO.
What is the InChIKey of [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol?
The InChIKey is KBYVWKCVQBTWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c1-2-5-12-10(8-19)13(18-21-12)9-6-3-4-7-11(9)20-14(15,16)17/h3-4,6-7,19H,2,5,8H2,1H3.
What are the key properties of [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol?
[5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol has a molecular weight of 301.26 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol is sourced from PubChem (CID 68722614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).