4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole

C13H17NO2 — CID 3041214

IUPAC4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(Cc2ccc(OC)cc2)=N1
InChIInChI=1S/C13H17NO2/c1-3-11-9-16-13(14-11)8-10-4-6-12(15-2)7-5-10/h4-7,11H,3,8-9H2,1-2H3
InChIKeyVEAXDBKPLRSNBZ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.44
Rot. Bonds4

About 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole

4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole (PubChem CID 3041214) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
PubChem CID3041214
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole
SMILESCCC1COC(Cc2ccc(OC)cc2)=N1
InChIInChI=1S/C13H17NO2/c1-3-11-9-16-13(14-11)8-10-4-6-12(15-2)7-5-10/h4-7,11H,3,8-9H2,1-2H3
InChIKeyVEAXDBKPLRSNBZ-UHFFFAOYSA-N
XLogP2.44
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole-4-carboxylic acid
CID 115061230
2-benzyl-4-butyl-4,5-dihydro-1,3-oxazole
CID 159605678
[4-[(3-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-yl]methanamine
CID 115062086
[(4R)-2-[(4-methoxyphenyl)methyl]-4-methyl-5H-1,3-oxazol-4-yl]methanol
CID 910157
3-(2-benzyl-4,5-dihydro-1,3-oxazol-4-yl)propan-1-amine
CID 115061130
2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-5-ol
CID 115065955
4-[(4-methoxyphenyl)methyl]-2-pyrrolidin-2-yl-4,5-dihydro-1,3-oxazole
CID 115061820
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
4-butyl-2-[(4-butyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]-4,5-dihydro-1,3-oxazole
CID 139566761
(4-methoxyphenyl)(113C)methyl-trimethylsilane
CID 101034579
2-[(4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-5-carboxylic acid
CID 115065977
tert-butyl-[4-[(4-methoxyphenyl)methyl]phenoxy]-dimethylsilane
CID 23553287

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole (CID 3041214) is 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole is CCC1COC(Cc2ccc(OC)cc2)=N1.
What is the InChIKey of 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VEAXDBKPLRSNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-11-9-16-13(14-11)8-10-4-6-12(15-2)7-5-10/h4-7,11H,3,8-9H2,1-2H3.
What are the key properties of 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole?
4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 219.28 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 3041214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).