2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid

C21H23NO8 — CID 118296960

IUPAC2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid
SMILESCOc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCC(=O)O
InChIInChI=1S/C21H23NO8/c1-25-15-6-5-12(7-17(15)29-11-20(23)24)16-10-14(22-30-16)13-8-18(26-2)21(28-4)19(9-13)27-3/h5-9,16H,10-11H2,1-4H3,(H,23,24)
InChIKeyWJTXNOAOGOXHMU-UHFFFAOYSA-N
MW417.41 g/mol
LogP3.05
Rot. Bonds9

About 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid

2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid (PubChem CID 118296960) has the molecular formula C21H23NO8 and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid
PubChem CID118296960
Molecular FormulaC21H23NO8
Molecular Weight417.41 g/mol
Exact Mass417.14
IUPAC Name2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid
SMILESCOc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCC(=O)O
InChIInChI=1S/C21H23NO8/c1-25-15-6-5-12(7-17(15)29-11-20(23)24)16-10-14(22-30-16)13-8-18(26-2)21(28-4)19(9-13)27-3/h5-9,16H,10-11H2,1-4H3,(H,23,24)
InChIKeyWJTXNOAOGOXHMU-UHFFFAOYSA-N
XLogP3.05
TPSA105.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxy-3-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 58672883
(5S)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 29078762
6-methoxy-2-[3-methoxy-4-[[[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]methylamino]methoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 91542393
2-[3-methoxy-4-[4-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]butoxy]phenyl]-6-methyl-2,3-dihydro-1H-quinazolin-4-one
CID 89122989
5-[3-[3-[4-[3-[4-(1,3-benzothiazol-2-yl)phenoxy]propyl]piperazin-1-yl]propoxy]-4-methoxyphenyl]-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 154052159
ethyl 2-[5-[2-acetyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetate
CID 118296952
2-[4-[2-[2,6-dimethoxy-4-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]ethoxy]-3-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 46207545
6-methoxy-2-[3-methoxy-4-[2-[[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]amino]propoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 143999225
(5S)-N-benzyl-N-methyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 40503951
[(5S)-3-phenyl-4,5-dihydro-1,2-oxazol-5-yl]methyl 3,4,5-trimethoxybenzoate
CID 1256400
6-chloro-2-[4-[[3-[2,6-dimethoxy-4-[5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenoxy]cyclobutyl]methoxy]-3-methoxyphenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 89070095
6-chloro-2-[3-methoxy-4-[[3-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-7-azabicyclo[4.1.0]hepta-1(6),2,4-trien-7-yl]oxymethoxy]phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 143999259

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid?
The IUPAC name of 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid (CID 118296960) is 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid is COc1ccc(C2CC(c3cc(OC)c(OC)c(OC)c3)=NO2)cc1OCC(=O)O.
What is the InChIKey of 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid?
The InChIKey is WJTXNOAOGOXHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO8/c1-25-15-6-5-12(7-17(15)29-11-20(23)24)16-10-14(22-30-16)13-8-18(26-2)21(28-4)19(9-13)27-3/h5-9,16H,10-11H2,1-4H3,(H,23,24).
What are the key properties of 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid?
2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid has a molecular weight of 417.41 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-5-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]phenoxy]acetic acid is sourced from PubChem (CID 118296960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).