[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate

C15H17NO4 — CID 55537653

IUPAC[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
SMILESCCCC(=O)OCc1coc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H17NO4/c1-3-4-14(17)19-9-12-10-20-15(16-12)11-5-7-13(18-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyDHEMNLCRXZLXHW-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.19
Rot. Bonds6

About [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate

[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate (PubChem CID 55537653) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
PubChem CID55537653
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
SMILESCCCC(=O)OCc1coc(-c2ccc(OC)cc2)n1
InChIInChI=1S/C15H17NO4/c1-3-4-14(17)19-9-12-10-20-15(16-12)11-5-7-13(18-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3
InChIKeyDHEMNLCRXZLXHW-UHFFFAOYSA-N
XLogP3.19
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenyl-1,3-oxazol-4-yl)methyl 3-(4-methoxyphenyl)propanoate
CID 31718301
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-cyclopentylacetate
CID 55538335
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl cyclohexanecarboxylate
CID 55538994
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 5-propyl-1H-pyrazole-3-carboxylate
CID 24671310
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3,5-dimethoxybenzoate
CID 32685436
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 24657470
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl 4-[(carbamoylamino)methyl]benzoate
CID 55539141
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 38640450
N-[3-acetyl-4-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]butanamide
CID 24656339
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl 3-(2-ethoxyphenyl)propanoate
CID 55546213
[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 34139985

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate (CID 55537653) is [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate is CCCC(=O)OCc1coc(-c2ccc(OC)cc2)n1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate?
The InChIKey is DHEMNLCRXZLXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-3-4-14(17)19-9-12-10-20-15(16-12)11-5-7-13(18-2)8-6-11/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate?
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate has a molecular weight of 275.30 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate is sourced from PubChem (CID 55537653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).