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

C12H11ClFNO2 — CID 113374656

IUPAC3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C12H11ClFNO2/c13-10-6-8(3-4-11(10)14)12-7-9(17-15-12)2-1-5-16/h3-4,6-7,16H,1-2,5H2
InChIKeyYVHWXWSDJDTWFS-UHFFFAOYSA-N
MW255.68 g/mol
LogP3.06
Rot. Bonds4

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

3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol (PubChem CID 113374656) has the molecular formula C12H11ClFNO2 and a molecular weight of 255.68 g/mol. Its IUPAC name is 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
PubChem CID113374656
Molecular FormulaC12H11ClFNO2
Molecular Weight255.68 g/mol
Exact Mass255.05
IUPAC Name3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
SMILESOCCCc1cc(-c2ccc(F)c(Cl)c2)no1
InChIInChI=1S/C12H11ClFNO2/c13-10-6-8(3-4-11(10)14)12-7-9(17-15-12)2-1-5-16/h3-4,6-7,16H,1-2,5H2
InChIKeyYVHWXWSDJDTWFS-UHFFFAOYSA-N
XLogP3.06
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374650
2-[3-(3-bromo-4-chlorophenyl)-1,2-oxazol-5-yl]ethanol
CID 83241618
3-[3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-yl]propan-1-ol
CID 114058125
3-[3-(2-methylquinolin-6-yl)-1,2-oxazol-5-yl]propan-1-ol
CID 105379609
5-(3-chloropropyl)-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazole
CID 114281168
2-[3-[5-(3-hydroxypropyl)-1,2-oxazol-3-yl]phenyl]acetic acid
CID 126722633
3-(3,4-dichlorophenyl)-5-(iodomethyl)-1,2-oxazole
CID 119091467
4-[5-(2-aminoethyl)-1,2-oxazol-3-yl]-2-chlorobenzonitrile
CID 67168307
N-[[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-4-(1,8-naphthyridin-2-yl)butan-1-amine
CID 170261499
2-[3-[4-fluoro-3-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethanamine
CID 116642403
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
2-[3-(3,5-dichlorophenyl)-1,2-oxazol-5-yl]ethanamine
CID 116642410

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol (CID 113374656) is 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol is OCCCc1cc(-c2ccc(F)c(Cl)c2)no1.
What is the InChIKey of 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol?
The InChIKey is YVHWXWSDJDTWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO2/c13-10-6-8(3-4-11(10)14)12-7-9(17-15-12)2-1-5-16/h3-4,6-7,16H,1-2,5H2.
What are the key properties of 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol?
3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol has a molecular weight of 255.68 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chloro-4-fluorophenyl)-1,2-oxazol-5-yl]propan-1-ol is sourced from PubChem (CID 113374656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).