[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol

C11H10FNO2S — CID 165472079

IUPAC[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
SMILESCOc1cccc(F)c1-c1cc(CS)no1
InChIInChI=1S/C11H10FNO2S/c1-14-9-4-2-3-8(12)11(9)10-5-7(6-16)13-15-10/h2-5,16H,6H2,1H3
InChIKeyZZEZSAYAYFDRQG-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.92
Rot. Bonds3

About [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol

[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol (PubChem CID 165472079) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol.

Molecular Properties

Compound Name[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
PubChem CID165472079
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
SMILESCOc1cccc(F)c1-c1cc(CS)no1
InChIInChI=1S/C11H10FNO2S/c1-14-9-4-2-3-8(12)11(9)10-5-7(6-16)13-15-10/h2-5,16H,6H2,1H3
InChIKeyZZEZSAYAYFDRQG-UHFFFAOYSA-N
XLogP2.92
TPSA35.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[5-(5-bromo-2-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol
CID 82160263
5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411476
[5-(2-methylphenyl)-1,2-oxazol-3-yl]methanethiol
CID 165479825
[5-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-3-yl]methanamine
CID 82472973
5-[2-methoxy-6-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117340239
1-fluoro-2-(2-fluorophenyl)-3-methoxybenzene
CID 46312197
4-(chloromethyl)-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole
CID 65431930
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
2-(2,6-dimethoxyphenyl)-6-fluoroaniline
CID 107602899
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
2-(2-fluoro-6-methoxyphenyl)pyridine
CID 66942163

Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol?
The IUPAC name of [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol (CID 165472079) is [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol.
What is the SMILES notation for [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol?
The canonical SMILES for [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol is COc1cccc(F)c1-c1cc(CS)no1.
What is the InChIKey of [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol?
The InChIKey is ZZEZSAYAYFDRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-14-9-4-2-3-8(12)11(9)10-5-7(6-16)13-15-10/h2-5,16H,6H2,1H3.
What are the key properties of [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol?
[5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol has a molecular weight of 239.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-6-methoxyphenyl)-1,2-oxazol-3-yl]methanethiol is sourced from PubChem (CID 165472079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).