4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C15H17NO4 — CID 143281942

IUPAC4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESC=C(C)c1conc1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H17NO4/c1-9(2)11-8-20-16-14(11)10-6-12(17-3)15(19-5)13(7-10)18-4/h6-8H,1H2,2-5H3
InChIKeyOFYQJEWKHWMMTP-UHFFFAOYSA-N
MW275.30 g/mol
LogP3.40
Rot. Bonds5

About 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 143281942) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID143281942
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESC=C(C)c1conc1-c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C15H17NO4/c1-9(2)11-8-20-16-14(11)10-6-12(17-3)15(19-5)13(7-10)18-4/h6-8H,1H2,2-5H3
InChIKeyOFYQJEWKHWMMTP-UHFFFAOYSA-N
XLogP3.40
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58177948
[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2,3-dimethoxyphenyl] dihydrogen phosphate
CID 58178345
methyl 3-(4-hydroxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylate
CID 870102
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58712207
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
CID 173032615
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
3-(4-methoxy-3-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82390150
3-(4-ethoxy-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802087
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
1-[2-methoxy-5-[5-(3,4,5-trimethoxyphenyl)-2H-triazol-4-yl]phenyl]ethanone
CID 59430178
[3-carboxy-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58712217

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 143281942) is 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is C=C(C)c1conc1-c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is OFYQJEWKHWMMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(2)11-8-20-16-14(11)10-6-12(17-3)15(19-5)13(7-10)18-4/h6-8H,1H2,2-5H3.
What are the key properties of 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 275.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 143281942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).