methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate

C32H32N2O6 — CID 142053245

IUPACmethyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(/C=C(\C)Cc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C32H32N2O6/c1-22(19-29-23(2)39-31(33-29)26-8-6-5-7-9-26)18-24-10-12-25(13-11-24)20-34(21-30(35)38-4)32(36)40-28-16-14-27(37-3)15-17-28/h5-18H,19-21H2,1-4H3/b22-18+
InChIKeyPPAYHVQLYHRBJQ-RELWKKBWSA-N
MW540.62 g/mol
LogP6.48
Rot. Bonds10

About methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate

methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate (PubChem CID 142053245) has the molecular formula C32H32N2O6 and a molecular weight of 540.62 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate
PubChem CID142053245
Molecular FormulaC32H32N2O6
Molecular Weight540.62 g/mol
Exact Mass540.23
IUPAC Namemethyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate
SMILESCOC(=O)CN(Cc1ccc(/C=C(\C)Cc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1
InChIInChI=1S/C32H32N2O6/c1-22(19-29-23(2)39-31(33-29)26-8-6-5-7-9-26)18-24-10-12-25(13-11-24)20-34(21-30(35)38-4)32(36)40-28-16-14-27(37-3)15-17-28/h5-18H,19-21H2,1-4H3/b22-18+
InChIKeyPPAYHVQLYHRBJQ-RELWKKBWSA-N
XLogP6.48
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.62
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-4-(5-methyl-2-phenyl-1,3-oxazol-4-yl)but-3-enoxy]phenyl]methyl]amino]acetate
CID 152924266
2-[[4-[1-hydroxy-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(4-methoxyphenoxy)carbonylamino]acetic acid
CID 154562195
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid
CID 22087629
(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate
CID 22087813
4-ethyl-5-methyl-2-phenyl-1,3-oxazole;2-[(4-methoxyphenoxy)carbonyl-[[4-[2-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methyl]amino]acetic acid
CID 159718898
ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate
CID 89299147
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]propanoic acid
CID 22087631
2-[(4-methylphenoxy)carbonyl-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 22087654
(4-methoxyphenyl) N-ethyl-N-[1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]ethyl]carbamate;(4-methoxyphenyl) N-ethyl-N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]carbamate
CID 160644629
methyl 2-[(4-methoxyphenoxy)carbonyl-[(1S)-1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexyl]amino]acetate
CID 59899327
(2-methoxyphenyl) 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetate
CID 31702472
2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087558

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate?
The IUPAC name of methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate (CID 142053245) is methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate?
The canonical SMILES for methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate is COC(=O)CN(Cc1ccc(/C=C(\C)Cc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate?
The InChIKey is PPAYHVQLYHRBJQ-RELWKKBWSA-N. The full InChI is InChI=1S/C32H32N2O6/c1-22(19-29-23(2)39-31(33-29)26-8-6-5-7-9-26)18-24-10-12-25(13-11-24)20-34(21-30(35)38-4)32(36)40-28-16-14-27(37-3)15-17-28/h5-18H,19-21H2,1-4H3/b22-18+.
What are the key properties of methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate?
methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate has a molecular weight of 540.62 g/mol, XLogP of 6.48, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenoxy)carbonyl-[[4-[(E)-2-methyl-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]amino]acetate is sourced from PubChem (CID 142053245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).