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

C12H13NO2 — CID 22352547

IUPAC4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
SMILESCCc1coc(-c2cccc(OC)c2)n1
InChIInChI=1S/C12H13NO2/c1-3-10-8-15-12(13-10)9-5-4-6-11(7-9)14-2/h4-8H,3H2,1-2H3
InChIKeyKSQDVAUYTZTEHS-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.91
Rot. Bonds3

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

4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole (PubChem CID 22352547) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
PubChem CID22352547
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole
SMILESCCc1coc(-c2cccc(OC)c2)n1
InChIInChI=1S/C12H13NO2/c1-3-10-8-15-12(13-10)9-5-4-6-11(7-9)14-2/h4-8H,3H2,1-2H3
InChIKeyKSQDVAUYTZTEHS-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

4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
CID 57434521
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclopropanamine
CID 65288587
2-(3-methoxyphenyl)-1,3-oxazole-4-carbaldehyde
CID 53407351
4-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methylamino]benzonitrile
CID 166339062
N-[[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 56665294
1-(3-methoxyphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine;hydroiodide
CID 111809385
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-ethylpropan-1-amine
CID 56665279
N-ethyl-3-fluoro-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 55869520
2-(2,3-dimethoxyphenyl)-4-ethyl-1,3-oxazole
CID 144909946
cyclohexane;ethane;[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]methanol;methyl 2-(hydroxymethyl)-6-methylbenzoate
CID 142936232
benzyl 2-(3-methoxyphenyl)-1,3-oxazole-4-carboxylate
CID 46201740
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]cyclohexanamine
CID 56662457

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole (CID 22352547) is 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole is CCc1coc(-c2cccc(OC)c2)n1.
What is the InChIKey of 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole?
The InChIKey is KSQDVAUYTZTEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-10-8-15-12(13-10)9-5-4-6-11(7-9)14-2/h4-8H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole?
4-ethyl-2-(3-methoxyphenyl)-1,3-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 4-ethyl-2-(3-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 22352547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).