methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate

C25H28N2O6 — CID 55513076

IUPACmethyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1
InChIInChI=1S/C25H28N2O6/c1-17-21(18(2)33-26-17)16-32-22-11-10-20(14-23(22)30-3)25(29)27(13-12-24(28)31-4)15-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3
InChIKeyAYGZWJQBULHJIX-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.08
Rot. Bonds10

About methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate

methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate (PubChem CID 55513076) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate
PubChem CID55513076
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Namemethyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate
SMILESCOC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1
InChIInChI=1S/C25H28N2O6/c1-17-21(18(2)33-26-17)16-32-22-11-10-20(14-23(22)30-3)25(29)27(13-12-24(28)31-4)15-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3
InChIKeyAYGZWJQBULHJIX-UHFFFAOYSA-N
XLogP4.08
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate with MolForge

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Related Compounds

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxy-3-methoxyphenyl)methyl]-N-ethyl-3-methoxybenzamide
CID 24548516
N-butyl-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-ethyl-3-methoxybenzamide
CID 55350939
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N,3-dimethoxy-N-methylbenzamide
CID 17465264
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[(4-ethoxyphenyl)methyl]-3-methoxy-N-methylbenzamide
CID 27822856
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 41275870
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzamide
CID 26532706
methyl 3-[benzyl-[4-methoxy-3-(methylsulfamoyl)benzoyl]amino]propanoate
CID 55513170
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[2-(N-methylanilino)propyl]benzamide
CID 55721236
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 27774718
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-methylbenzamide
CID 25161494
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
CID 17430469

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate?
The IUPAC name of methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate (CID 55513076) is methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate is COC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1.
What is the InChIKey of methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate?
The InChIKey is AYGZWJQBULHJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-17-21(18(2)33-26-17)16-32-22-11-10-20(14-23(22)30-3)25(29)27(13-12-24(28)31-4)15-19-8-6-5-7-9-19/h5-11,14H,12-13,15-16H2,1-4H3.
What are the key properties of methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate?
methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate has a molecular weight of 452.51 g/mol, XLogP of 4.08, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzyl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]amino]propanoate is sourced from PubChem (CID 55513076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).