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

C10H11NOS — CID 130894129

IUPAC2-ethyl-7-methylsulfanyl-1,3-benzoxazole
SMILESCCc1nc2cccc(SC)c2o1
InChIInChI=1S/C10H11NOS/c1-3-9-11-7-5-4-6-8(13-2)10(7)12-9/h4-6H,3H2,1-2H3
InChIKeySKWSHKYVYXMURC-UHFFFAOYSA-N
MW193.27 g/mol
LogP3.11
Rot. Bonds2

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

2-ethyl-7-methylsulfanyl-1,3-benzoxazole (PubChem CID 130894129) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-ethyl-7-methylsulfanyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethyl-7-methylsulfanyl-1,3-benzoxazole
PubChem CID130894129
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-ethyl-7-methylsulfanyl-1,3-benzoxazole
SMILESCCc1nc2cccc(SC)c2o1
InChIInChI=1S/C10H11NOS/c1-3-9-11-7-5-4-6-8(13-2)10(7)12-9/h4-6H,3H2,1-2H3
InChIKeySKWSHKYVYXMURC-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

Analyze 2-ethyl-7-methylsulfanyl-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
7-chloro-2-ethyl-1,3-benzoxazole;ethane
CID 145422822
2-chloro-1-(7-methylsulfanyl-1,3-benzoxazol-2-yl)ethanone
CID 131391332
2-bromo-1-(2-ethyl-1,3-benzoxazol-7-yl)ethanone
CID 131465086
2-ethyl-1,3-benzoxazole
CID 23239
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
2-ethyl-5-methylsulfanyl-1,3-benzoxazole
CID 131029020
2-(hydroxymethyl)-1,3-benzoxazol-7-ol
CID 130894821
(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
CID 130980249
N-methyl-1-(7-propan-2-yl-1,3-benzoxazol-2-yl)methanamine
CID 82230283
7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
2-ethyl-5,7-dimethyl-1,3-benzoxazole
CID 82229674

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methylsulfanyl-1,3-benzoxazole?
The IUPAC name of 2-ethyl-7-methylsulfanyl-1,3-benzoxazole (CID 130894129) is 2-ethyl-7-methylsulfanyl-1,3-benzoxazole.
What is the SMILES notation for 2-ethyl-7-methylsulfanyl-1,3-benzoxazole?
The canonical SMILES for 2-ethyl-7-methylsulfanyl-1,3-benzoxazole is CCc1nc2cccc(SC)c2o1.
What is the InChIKey of 2-ethyl-7-methylsulfanyl-1,3-benzoxazole?
The InChIKey is SKWSHKYVYXMURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-3-9-11-7-5-4-6-8(13-2)10(7)12-9/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethyl-7-methylsulfanyl-1,3-benzoxazole?
2-ethyl-7-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-7-methylsulfanyl-1,3-benzoxazole is sourced from PubChem (CID 130894129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).