2-ethoxy-6-methoxy-1,3-benzoxazole

C10H11NO3 — CID 130837090

IUPAC2-ethoxy-6-methoxy-1,3-benzoxazole
SMILESCCOc1nc2ccc(OC)cc2o1
InChIInChI=1S/C10H11NO3/c1-3-13-10-11-8-5-4-7(12-2)6-9(8)14-10/h4-6H,3H2,1-2H3
InChIKeyHQRIZTGBJSWRQK-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.24
Rot. Bonds3

About 2-ethoxy-6-methoxy-1,3-benzoxazole

2-ethoxy-6-methoxy-1,3-benzoxazole (PubChem CID 130837090) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-ethoxy-6-methoxy-1,3-benzoxazole.

Molecular Properties

Compound Name2-ethoxy-6-methoxy-1,3-benzoxazole
PubChem CID130837090
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-ethoxy-6-methoxy-1,3-benzoxazole
SMILESCCOc1nc2ccc(OC)cc2o1
InChIInChI=1S/C10H11NO3/c1-3-13-10-11-8-5-4-7(12-2)6-9(8)14-10/h4-6H,3H2,1-2H3
InChIKeyHQRIZTGBJSWRQK-UHFFFAOYSA-N
XLogP2.24
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1,3-benzoxazole-6-thiol
CID 131090717
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
2-ethoxy-5-methylsulfanyl-1,3-benzoxazole
CID 130894860
5-(chloromethyl)-2-ethoxy-1,3-benzoxazole
CID 130895736
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
6-methoxy-2-(6-propoxy-3-pyridinyl)-1,3-benzoxazole
CID 71148352
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837480
N-[2-(6-methoxy-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 102696419

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-methoxy-1,3-benzoxazole?
The IUPAC name of 2-ethoxy-6-methoxy-1,3-benzoxazole (CID 130837090) is 2-ethoxy-6-methoxy-1,3-benzoxazole.
What is the SMILES notation for 2-ethoxy-6-methoxy-1,3-benzoxazole?
The canonical SMILES for 2-ethoxy-6-methoxy-1,3-benzoxazole is CCOc1nc2ccc(OC)cc2o1.
What is the InChIKey of 2-ethoxy-6-methoxy-1,3-benzoxazole?
The InChIKey is HQRIZTGBJSWRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-13-10-11-8-5-4-7(12-2)6-9(8)14-10/h4-6H,3H2,1-2H3.
What are the key properties of 2-ethoxy-6-methoxy-1,3-benzoxazole?
2-ethoxy-6-methoxy-1,3-benzoxazole has a molecular weight of 193.20 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-methoxy-1,3-benzoxazole is sourced from PubChem (CID 130837090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).