3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol

C12H10F3NO2 — CID 114058125

IUPAC3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2cc(F)c(F)cc2F)no1
InChIInChI=1S/C12H10F3NO2/c13-9-6-11(15)10(14)5-8(9)12-4-7(18-16-12)2-1-3-17/h4-6,17H,1-3H2
InChIKeyDAUWNFPZQFLODR-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.68
Rot. Bonds4

About 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol

3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 114058125) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
PubChem CID114058125
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2cc(F)c(F)cc2F)no1
InChIInChI=1S/C12H10F3NO2/c13-9-6-11(15)10(14)5-8(9)12-4-7(18-16-12)2-1-3-17/h4-6,17H,1-3H2
InChIKeyDAUWNFPZQFLODR-UHFFFAOYSA-N
XLogP2.68
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374656
3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374650
3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374651
3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol
CID 105379609
2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
CID 126722633
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
CID 19894069
[3-(2-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 69397086
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
[3-(3-fluoro-2-methyl-4-pyridinyl)-1,2-oxazol-5-yl]methanol
CID 169262788
[3-[4-fluoro-2-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]methanol
CID 69398584
3-(2,4-difluoro-5-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117348551
1,2,4-trifluoro-5-(2,4,5-trifluorophenyl)benzene
CID 58769561

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol (CID 114058125) is 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol is OCCCc1cc(-c2cc(F)c(F)cc2F)no1.
What is the InChIKey of 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is DAUWNFPZQFLODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-9-6-11(15)10(14)5-8(9)12-4-7(18-16-12)2-1-3-17/h4-6,17H,1-3H2.
What are the key properties of 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol?
3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 257.21 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 114058125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).