4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

C21H23NO4 — CID 58712207

IUPAC4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2nocc2-c2ccc(C(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H23NO4/c1-13(2)14-6-8-15(9-7-14)17-12-26-22-20(17)16-10-18(23-3)21(25-5)19(11-16)24-4/h6-13H,1-5H3
InChIKeyIIQRCXKUVGFUOS-UHFFFAOYSA-N
MW353.42 g/mol
LogP5.16
Rot. Bonds6

About 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole

4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 58712207) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID58712207
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(-c2nocc2-c2ccc(C(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C21H23NO4/c1-13(2)14-6-8-15(9-7-14)17-12-26-22-20(17)16-10-18(23-3)21(25-5)19(11-16)24-4/h6-13H,1-5H3
InChIKeyIIQRCXKUVGFUOS-UHFFFAOYSA-N
XLogP5.16
TPSA53.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 55.16
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
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
sodium;hydride;[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl] dihydrogen phosphate
CID 173032615
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178080
2-amino-N-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-2-phenylacetamide
CID 58712186
1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]phenyl]-3-(2-methylbutyl)urea;hydrochloride
CID 173126193
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2,3-dimethoxyphenyl] dihydrogen phosphate
CID 58178345
[3-carboxy-1-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]anilino]-1-oxopropan-2-yl]azanium
CID 58712217
2-amino-N-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]propanamide;hydrochloride
CID 123477282
4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178281
4-prop-1-en-2-yl-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 143281942

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole (CID 58712207) is 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(-c2nocc2-c2ccc(C(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is IIQRCXKUVGFUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-13(2)14-6-8-15(9-7-14)17-12-26-22-20(17)16-10-18(23-3)21(25-5)19(11-16)24-4/h6-13H,1-5H3.
What are the key properties of 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole?
4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 353.42 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58712207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).