5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione

C10H9NO2S — CID 18439774

IUPAC5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione
SMILESCOc1cccc(-c2c[nH]c(=S)o2)c1
InChIInChI=1S/C10H9NO2S/c1-12-8-4-2-3-7(5-8)9-6-11-10(14)13-9/h2-6H,1H3,(H,11,14)
InChIKeyKOTXZVLZQCPXEH-UHFFFAOYSA-N
MW207.25 g/mol
LogP3.01
Rot. Bonds2

About 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione

5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione (PubChem CID 18439774) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione
PubChem CID18439774
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione
SMILESCOc1cccc(-c2c[nH]c(=S)o2)c1
InChIInChI=1S/C10H9NO2S/c1-12-8-4-2-3-7(5-8)9-6-11-10(14)13-9/h2-6H,1H3,(H,11,14)
InChIKeyKOTXZVLZQCPXEH-UHFFFAOYSA-N
XLogP3.01
TPSA38.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methoxyphenyl)-1,3-dihydroimidazole-2-thione
CID 25124592
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-(3-methoxyphenyl)-2,3-dimethylfuran
CID 70996763
[5-(3-methoxyphenyl)furan-2-yl]methanamine
CID 43826373
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
5-(4-methylphenyl)-3H-1,3-oxazole-2-thione
CID 59755605
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione?
The IUPAC name of 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione (CID 18439774) is 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione?
The canonical SMILES for 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione is COc1cccc(-c2c[nH]c(=S)o2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione?
The InChIKey is KOTXZVLZQCPXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-12-8-4-2-3-7(5-8)9-6-11-10(14)13-9/h2-6H,1H3,(H,11,14).
What are the key properties of 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione?
5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione has a molecular weight of 207.25 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 18439774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).