4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole

C11H13NO2 — CID 170292106

IUPAC4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole
SMILESCCc1c(OC)cc(C)c2oncc12
InChIInChI=1S/C11H13NO2/c1-4-8-9-6-12-14-11(9)7(2)5-10(8)13-3/h5-6H,4H2,1-3H3
InChIKeyHEXOMJTUSAVDIX-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.71
Rot. Bonds2

About 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole

4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole (PubChem CID 170292106) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole.

Molecular Properties

Compound Name4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole
PubChem CID170292106
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole
SMILESCCc1c(OC)cc(C)c2oncc12
InChIInChI=1S/C11H13NO2/c1-4-8-9-6-12-14-11(9)7(2)5-10(8)13-3/h5-6H,4H2,1-3H3
InChIKeyHEXOMJTUSAVDIX-UHFFFAOYSA-N
XLogP2.71
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole?
The IUPAC name of 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole (CID 170292106) is 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole.
What is the SMILES notation for 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole?
The canonical SMILES for 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole is CCc1c(OC)cc(C)c2oncc12.
What is the InChIKey of 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole?
The InChIKey is HEXOMJTUSAVDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-4-8-9-6-12-14-11(9)7(2)5-10(8)13-3/h5-6H,4H2,1-3H3.
What are the key properties of 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole?
4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole has a molecular weight of 191.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methoxy-7-methyl-1,2-benzoxazole is sourced from PubChem (CID 170292106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).