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

C13H14FNO2S — CID 66114740

IUPAC3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
SMILESOCCCSCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FNO2S/c14-11-4-2-10(3-5-11)13-15-12(8-17-13)9-18-7-1-6-16/h2-5,8,16H,1,6-7,9H2
InChIKeyHORSXFZEWNYVJK-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.10
Rot. Bonds6

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

3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol (PubChem CID 66114740) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
PubChem CID66114740
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
SMILESOCCCSCc1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H14FNO2S/c14-11-4-2-10(3-5-11)13-15-12(8-17-13)9-18-7-1-6-16/h2-5,8,16H,1,6-7,9H2
InChIKeyHORSXFZEWNYVJK-UHFFFAOYSA-N
XLogP3.10
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 78845847
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66115439
2-amino-3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid
CID 43414263
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62021325
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55537742
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 66104930
5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]pyridin-2-amine
CID 43301701
4-[(1-ethyltetrazol-5-yl)sulfanylmethyl]-2-(4-fluorophenyl)-1,3-oxazole
CID 24668922
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-methoxyethyl)amino]ethanol
CID 111103117
4-(azidomethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 61373650

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol (CID 66114740) is 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol is OCCCSCc1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol?
The InChIKey is HORSXFZEWNYVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c14-11-4-2-10(3-5-11)13-15-12(8-17-13)9-18-7-1-6-16/h2-5,8,16H,1,6-7,9H2.
What are the key properties of 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol?
3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol has a molecular weight of 267.32 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66114740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).