3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole

C12H13NO2 — CID 59226263

IUPAC3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
SMILESCCc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C12H13NO2/c1-3-10-8-12(15-13-10)9-4-6-11(14-2)7-5-9/h4-8H,3H2,1-2H3
InChIKeyDSNIXOMQKVWXNZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.91
Rot. Bonds3

About 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole

3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 59226263) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
PubChem CID59226263
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole
SMILESCCc1cc(-c2ccc(OC)cc2)on1
InChIInChI=1S/C12H13NO2/c1-3-10-8-12(15-13-10)9-4-6-11(14-2)7-5-9/h4-8H,3H2,1-2H3
InChIKeyDSNIXOMQKVWXNZ-UHFFFAOYSA-N
XLogP2.91
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(4-methoxyphenyl)-1,2-oxazole
CID 10956920
5-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl chloride
CID 43840572
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-propan-2-ylacetamide
CID 16879102
3-tert-butyl-5-(4-methoxyphenyl)-1,2-oxazole
CID 165376767
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
CID 16879241
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 16870033
2-O-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 16870041
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-prop-2-enylacetamide
CID 16879106
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 2-chlorobenzoate
CID 16869944
N-[3-(diethylamino)propyl]-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879115
[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl 3,4-difluorobenzoate
CID 16869952

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole (CID 59226263) is 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole is CCc1cc(-c2ccc(OC)cc2)on1.
What is the InChIKey of 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is DSNIXOMQKVWXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-10-8-12(15-13-10)9-4-6-11(14-2)7-5-9/h4-8H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole?
3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 203.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 59226263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).