7-methoxy-2-methylsulfanyl-1,3-benzoxazole

C9H9NO2S — CID 130784427

IUPAC7-methoxy-2-methylsulfanyl-1,3-benzoxazole
SMILESCOc1cccc2nc(SC)oc12
InChIInChI=1S/C9H9NO2S/c1-11-7-5-3-4-6-8(7)12-9(10-6)13-2/h3-5H,1-2H3
InChIKeyVVPABVAIILBVJM-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.56
Rot. Bonds2

About 7-methoxy-2-methylsulfanyl-1,3-benzoxazole

7-methoxy-2-methylsulfanyl-1,3-benzoxazole (PubChem CID 130784427) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 7-methoxy-2-methylsulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name7-methoxy-2-methylsulfanyl-1,3-benzoxazole
PubChem CID130784427
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name7-methoxy-2-methylsulfanyl-1,3-benzoxazole
SMILESCOc1cccc2nc(SC)oc12
InChIInChI=1S/C9H9NO2S/c1-11-7-5-3-4-6-8(7)12-9(10-6)13-2/h3-5H,1-2H3
InChIKeyVVPABVAIILBVJM-UHFFFAOYSA-N
XLogP2.56
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-1,3-benzoxazole-7-carboxylic acid
CID 118809335
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
7-methoxy-2-(5-methylthiophen-2-yl)-1,3-benzoxazole
CID 10467053
2-chloro-1-(7-methoxy-1,3-benzoxazol-2-yl)ethanone
CID 131317894
4-ethyl-8-methoxy-1,3-benzoxazin-2-one
CID 71154693
7-(2-fluoro-6-methoxyphenyl)-1,3-benzoxazol-2-amine
CID 90645217
6-methoxydibenzofuran-4-thiol
CID 23254072
2-iodo-7-methoxy-1-benzofuran
CID 147263066
2,7-dimethoxy-3-methyl-1-benzofuran
CID 70144170
2-bromo-7-(difluoromethoxy)-1,3-benzoxazole
CID 118996479
methyl 2-methylsulfanyl-1,3-benzoxazole-6-carboxylate
CID 59603330
2-(2,2-dimethylpropyl)-7-methoxy-1-benzofuran
CID 19075968

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methylsulfanyl-1,3-benzoxazole?
The IUPAC name of 7-methoxy-2-methylsulfanyl-1,3-benzoxazole (CID 130784427) is 7-methoxy-2-methylsulfanyl-1,3-benzoxazole.
What is the SMILES notation for 7-methoxy-2-methylsulfanyl-1,3-benzoxazole?
The canonical SMILES for 7-methoxy-2-methylsulfanyl-1,3-benzoxazole is COc1cccc2nc(SC)oc12.
What is the InChIKey of 7-methoxy-2-methylsulfanyl-1,3-benzoxazole?
The InChIKey is VVPABVAIILBVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-11-7-5-3-4-6-8(7)12-9(10-6)13-2/h3-5H,1-2H3.
What are the key properties of 7-methoxy-2-methylsulfanyl-1,3-benzoxazole?
7-methoxy-2-methylsulfanyl-1,3-benzoxazole has a molecular weight of 195.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methylsulfanyl-1,3-benzoxazole is sourced from PubChem (CID 130784427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).