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

C10H11NO2 — CID 119094129

IUPAC6-ethoxy-3-methyl-1,2-benzoxazole
SMILESCCOc1ccc2c(C)noc2c1
InChIInChI=1S/C10H11NO2/c1-3-12-8-4-5-9-7(2)11-13-10(9)6-8/h4-6H,3H2,1-2H3
InChIKeyLMENCWIMMWTXIV-UHFFFAOYSA-N
MW177.20 g/mol
LogP2.53
Rot. Bonds2

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

6-ethoxy-3-methyl-1,2-benzoxazole (PubChem CID 119094129) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-ethoxy-3-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name6-ethoxy-3-methyl-1,2-benzoxazole
PubChem CID119094129
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-ethoxy-3-methyl-1,2-benzoxazole
SMILESCCOc1ccc2c(C)noc2c1
InChIInChI=1S/C10H11NO2/c1-3-12-8-4-5-9-7(2)11-13-10(9)6-8/h4-6H,3H2,1-2H3
InChIKeyLMENCWIMMWTXIV-UHFFFAOYSA-N
XLogP2.53
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromoethyl)-6-ethoxy-1,2-benzoxazole
CID 39097628
3-ethoxy-6-methyl-1,2-benzoxazole
CID 118491983
6-(18F)fluoro-3-methyl-1,2-benzoxazole
CID 129087270
2-(3-methyl-1,2-benzoxazol-6-yl)propan-2-ol
CID 117282353
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290341
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
ethane;3-methyl-1,2-benzoxazole;propane
CID 143892351
[5-[(3-ethoxy-1,2-benzoxazol-6-yl)oxy]-3-methylpentoxy] thiohypoiodite
CID 126669035
3-ethoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,2-benzoxazole
CID 504457
ethyl 2-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 14012526
ethyl 2-[[3-(2,6-difluorophenyl)-1,2-benzoxazol-6-yl]oxy]acetate
CID 54100658
methyl 3-methyl-1,2-benzoxazole-6-carboxylate
CID 22610095

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-methyl-1,2-benzoxazole?
The IUPAC name of 6-ethoxy-3-methyl-1,2-benzoxazole (CID 119094129) is 6-ethoxy-3-methyl-1,2-benzoxazole.
What is the SMILES notation for 6-ethoxy-3-methyl-1,2-benzoxazole?
The canonical SMILES for 6-ethoxy-3-methyl-1,2-benzoxazole is CCOc1ccc2c(C)noc2c1.
What is the InChIKey of 6-ethoxy-3-methyl-1,2-benzoxazole?
The InChIKey is LMENCWIMMWTXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-3-12-8-4-5-9-7(2)11-13-10(9)6-8/h4-6H,3H2,1-2H3.
What are the key properties of 6-ethoxy-3-methyl-1,2-benzoxazole?
6-ethoxy-3-methyl-1,2-benzoxazole has a molecular weight of 177.20 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-methyl-1,2-benzoxazole is sourced from PubChem (CID 119094129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).