ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate

C20H19NO5 — CID 1154159

IUPACethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCc3ccccc3)c(OC)c2)no1
InChIInChI=1S/C20H19NO5/c1-3-24-20(22)19-12-16(21-26-19)15-9-10-17(18(11-15)23-2)25-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKeyZHVDKHNDRXSXIJ-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.11
Rot. Bonds7

About ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate

ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate (PubChem CID 1154159) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
PubChem CID1154159
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Nameethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(OCc3ccccc3)c(OC)c2)no1
InChIInChI=1S/C20H19NO5/c1-3-24-20(22)19-12-16(21-26-19)15-9-10-17(18(11-15)23-2)25-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3
InChIKeyZHVDKHNDRXSXIJ-UHFFFAOYSA-N
XLogP4.11
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate 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-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazol-5-amine
CID 3696985
3-(3-methoxy-4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 4559405
ethyl 3-(4-amino-3-methylphenyl)-1,2-oxazole-5-carboxylate
CID 67353967
ethyl 5-(4-methyl-3-phenylmethoxyphenyl)-2H-triazole-4-carboxylate
CID 169399374
ethyl 3-[3-isocyano-4-(trifluoromethylsulfonyloxy)phenyl]-1,2-oxazole-5-carboxylate
CID 59518212
3-(3-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117337507
ethyl 5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-3-carboxylate
CID 63379413
ethyl 3-(4-nitrophenyl)-1,2-oxazole-5-carboxylate
CID 949375
ethyl 2-[5-formyl-6-(3-methoxy-4-phenylmethoxyphenyl)imidazo[2,1-b][1,3]thiazol-2-yl]acetate
CID 3993192
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl (E)-3-(3-methoxy-4-phenylmethoxyphenyl)but-2-enoate
CID 23087678
4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde
CID 12967874

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate?
The IUPAC name of ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate (CID 1154159) is ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate is CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)c(OC)c2)no1.
What is the InChIKey of ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate?
The InChIKey is ZHVDKHNDRXSXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5/c1-3-24-20(22)19-12-16(21-26-19)15-9-10-17(18(11-15)23-2)25-13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate?
ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-methoxy-4-phenylmethoxyphenyl)-1,2-oxazole-5-carboxylate is sourced from PubChem (CID 1154159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).