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

C13H14FNO2S — CID 66115439

IUPAC3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
SMILESOCCCSCc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H14FNO2S/c14-11-4-1-3-10(7-11)13-15-12(8-17-13)9-18-6-2-5-16/h1,3-4,7-8,16H,2,5-6,9H2
InChIKeyMICHRLHDCMTZRG-UHFFFAOYSA-N
MW267.32 g/mol
LogP3.10
Rot. Bonds6

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

3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol (PubChem CID 66115439) has the molecular formula C13H14FNO2S and a molecular weight of 267.32 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
PubChem CID66115439
Molecular FormulaC13H14FNO2S
Molecular Weight267.32 g/mol
Exact Mass267.07
IUPAC Name3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
SMILESOCCCSCc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C13H14FNO2S/c14-11-4-1-3-10(7-11)13-15-12(8-17-13)9-18-6-2-5-16/h1,3-4,7-8,16H,2,5-6,9H2
InChIKeyMICHRLHDCMTZRG-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

3-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66114740
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
CID 78860401
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
4-(butylsulfanylmethyl)-2-(4-fluorophenyl)-1,3-oxazole
CID 78845847
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 33276229
[1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanol
CID 60768867
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
CID 65249857
2-(3-fluorophenyl)-4-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazole
CID 33287348
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2,6-dimethylpyrimidine-5-carbonitrile
CID 33358983
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 46593532
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-propylbutan-2-amine
CID 56662465

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol?
The IUPAC name of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol (CID 66115439) is 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol is OCCCSCc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol?
The InChIKey is MICHRLHDCMTZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2S/c14-11-4-1-3-10(7-11)13-15-12(8-17-13)9-18-6-2-5-16/h1,3-4,7-8,16H,2,5-6,9H2.
What are the key properties of 3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol?
3-[[2-(3-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-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66115439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).