2-ethyl-5-methylsulfanyl-1,3-benzoxazole

C10H11NOS — CID 131029020

IUPAC2-ethyl-5-methylsulfanyl-1,3-benzoxazole
SMILESCCc1nc2cc(SC)ccc2o1
InChIInChI=1S/C10H11NOS/c1-3-10-11-8-6-7(13-2)4-5-9(8)12-10/h4-6H,3H2,1-2H3
InChIKeyVWTNVZCFLYAMHD-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.11
Rot. Bonds2

About 2-ethyl-5-methylsulfanyl-1,3-benzoxazole

2-ethyl-5-methylsulfanyl-1,3-benzoxazole (PubChem CID 131029020) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-ethyl-5-methylsulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-5-methylsulfanyl-1,3-benzoxazole
PubChem CID131029020
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-ethyl-5-methylsulfanyl-1,3-benzoxazole
SMILESCCc1nc2cc(SC)ccc2o1
InChIInChI=1S/C10H11NOS/c1-3-10-11-8-6-7(13-2)4-5-9(8)12-10/h4-6H,3H2,1-2H3
InChIKeyVWTNVZCFLYAMHD-UHFFFAOYSA-N
XLogP3.11
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-5-methylsulfanyl-1,3-benzoxazole
CID 130894860
2-ethyl-1,3-benzoxazole-5-thiol
CID 131010364
2-ethyl-N-methyl-1,3-benzoxazol-5-amine
CID 63090196
2-(bromomethyl)-6-methylsulfanyl-1,3-benzoxazole
CID 118808916
2-ethyl-1,3-benzoxazole
CID 23239
2-(2-ethyl-1,3-benzoxazol-5-yl)acetate
CID 6986797
1-(2-ethyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
CID 82285124
2-ethyl-N-(3-methylbutan-2-yl)-1,3-benzoxazol-5-amine
CID 54866667
2-bromo-1-(2-ethyl-1,3-benzoxazol-5-yl)ethanone
CID 131465087
2-ethyl-5-fluoro-1,3-benzoxazol-6-amine
CID 70639293
ethyl 2-ethyl-1,3-benzoxazole-5-carboxylate
CID 1214797
2-hydroxy-2-(5-methylsulfanyl-1,3-benzoxazol-2-yl)acetic acid
CID 131409068

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylsulfanyl-1,3-benzoxazole?
The IUPAC name of 2-ethyl-5-methylsulfanyl-1,3-benzoxazole (CID 131029020) is 2-ethyl-5-methylsulfanyl-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-5-methylsulfanyl-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-5-methylsulfanyl-1,3-benzoxazole is CCc1nc2cc(SC)ccc2o1.
What is the InChIKey of 2-ethyl-5-methylsulfanyl-1,3-benzoxazole?
The InChIKey is VWTNVZCFLYAMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-3-10-11-8-6-7(13-2)4-5-9(8)12-10/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methylsulfanyl-1,3-benzoxazole?
2-ethyl-5-methylsulfanyl-1,3-benzoxazole has a molecular weight of 193.27 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylsulfanyl-1,3-benzoxazole is sourced from PubChem (CID 131029020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).