4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole

C20H21NO6 — CID 58178080

IUPAC4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(OC)c(OC)c(-c2nocc2-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H21NO6/c1-22-13-9-14(20(26-5)18(10-13)25-4)19-15(11-27-21-19)12-6-7-16(23-2)17(8-12)24-3/h6-11H,1-5H3
InChIKeyYXPQSBOKYHCHNS-UHFFFAOYSA-N
MW371.39 g/mol
LogP4.05
Rot. Bonds7

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

4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole (PubChem CID 58178080) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
PubChem CID58178080
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
SMILESCOc1cc(OC)c(OC)c(-c2nocc2-c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C20H21NO6/c1-22-13-9-14(20(26-5)18(10-13)25-4)19-15(11-27-21-19)12-6-7-16(23-2)17(8-12)24-3/h6-11H,1-5H3
InChIKeyYXPQSBOKYHCHNS-UHFFFAOYSA-N
XLogP4.05
TPSA72.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-butoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole
CID 58178328
4-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178281
4-(3-fluoro-4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58177948
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-(4-bromophenyl)-3-(2,4,5-trimethoxyphenyl)-1,2-oxazole
CID 58178267
4-[3-(3,4,5-trimethoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 135391735
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
methyl 5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxybenzoate
CID 58178223
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium
CID 13045733
3-amino-1-[5-[3-(3,4-dimethoxy-5-methylphenyl)-1,2-oxazol-4-yl]-2-methoxyphenyl]-4-(4-methoxyphenyl)butan-2-one
CID 58178114
N,N-dimethyl-4-[5-(2,3,5-trimethoxyphenyl)-1,2-oxazol-3-yl]aniline
CID 91182234

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole (CID 58178080) is 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole is COc1cc(OC)c(OC)c(-c2nocc2-c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole?
The InChIKey is YXPQSBOKYHCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-22-13-9-14(20(26-5)18(10-13)25-4)19-15(11-27-21-19)12-6-7-16(23-2)17(8-12)24-3/h6-11H,1-5H3.
What are the key properties of 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole?
4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole has a molecular weight of 371.39 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-3-(2,3,5-trimethoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).