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

C13H14FNO2 — CID 113374650

IUPAC3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol
SMILESCc1ccc(-c2cc(CCCO)on2)cc1F
InChIInChI=1S/C13H14FNO2/c1-9-4-5-10(7-12(9)14)13-8-11(17-15-13)3-2-6-16/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyOBIFEFBYVHLJPO-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.71
Rot. Bonds4

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

3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 113374650) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol
PubChem CID113374650
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol
SMILESCc1ccc(-c2cc(CCCO)on2)cc1F
InChIInChI=1S/C13H14FNO2/c1-9-4-5-10(7-12(9)14)13-8-11(17-15-13)3-2-6-16/h4-5,7-8,16H,2-3,6H2,1H3
InChIKeyOBIFEFBYVHLJPO-UHFFFAOYSA-N
XLogP2.71
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374656
3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol
CID 105379609
3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 114058125
5-chloro-3-(3-fluoro-4-methylphenyl)-1,2-oxazole
CID 80646398
5-(3-chloropropyl)-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazole
CID 114281168
2-[3-(6-methyl-3-pyridinyl)-1,2-oxazol-5-yl]ethanol
CID 104823802
2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
CID 126722633
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
CID 83241618
2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-yl]ethanol
CID 65017848
2-[3-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl-methylamino]ethanol
CID 111102002
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
CID 19894069

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol (CID 113374650) is 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol is Cc1ccc(-c2cc(CCCO)on2)cc1F.
What is the InChIKey of 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is OBIFEFBYVHLJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-9-4-5-10(7-12(9)14)13-8-11(17-15-13)3-2-6-16/h4-5,7-8,16H,2-3,6H2,1H3.
What are the key properties of 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol?
3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 235.26 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 113374650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).