3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine

C12H14N2O3S — CID 117419909

IUPAC3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(SC)c(-c2cc(N)on2)cc1OC
InChIInChI=1S/C12H14N2O3S/c1-15-9-4-7(8-5-12(13)17-14-8)11(18-3)6-10(9)16-2/h4-6H,13H2,1-3H3
InChIKeyGRCKLPSVCKDGTD-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.66
Rot. Bonds4

About 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine

3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine (PubChem CID 117419909) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
PubChem CID117419909
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(SC)c(-c2cc(N)on2)cc1OC
InChIInChI=1S/C12H14N2O3S/c1-15-9-4-7(8-5-12(13)17-14-8)11(18-3)6-10(9)16-2/h4-6H,13H2,1-3H3
InChIKeyGRCKLPSVCKDGTD-UHFFFAOYSA-N
XLogP2.66
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117415535
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336512
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428576
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine (CID 117419909) is 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine is COc1cc(SC)c(-c2cc(N)on2)cc1OC.
What is the InChIKey of 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The InChIKey is GRCKLPSVCKDGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-15-9-4-7(8-5-12(13)17-14-8)11(18-3)6-10(9)16-2/h4-6H,13H2,1-3H3.
What are the key properties of 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine has a molecular weight of 266.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117419909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).