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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Related Compounds

2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678
5,6-dimethoxyphenanthro[9,10-d][1,2]oxazole
CID 11323437
2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
CID 86188717
2-ethyl-1-methoxy-3,5-dimethylbenzene;propane
CID 170973865
5-ethyl-4-methoxy-6-methylpyridin-2-amine
CID 118491454
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
ethane;5-ethyl-4-methoxy-6-methylpyridin-2-amine
CID 145206975
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
1,4-diethyl-2-methoxynaphthalene
CID 135177818
5-bromo-7-methoxy-1,2-benzoxazole
CID 83669479
2-[(4,5-dimethoxy-2-methylphenyl)sulfanylmethyl]-5-ethyl-1,3-oxazole
CID 71870832

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).