ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate

C30H29FN2O6 — CID 89299147

IUPACethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(C)c(F)c1
InChIInChI=1S/C30H29FN2O6/c1-4-36-28(34)18-33(30(35)39-25-13-10-20(2)26(31)16-25)17-22-11-14-24(15-12-22)37-19-27-21(3)38-29(32-27)23-8-6-5-7-9-23/h5-16H,4,17-19H2,1-3H3
InChIKeyUSLWNKSZOAXSPI-UHFFFAOYSA-N
MW532.57 g/mol
LogP6.24
Rot. Bonds10

About ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate

ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate (PubChem CID 89299147) has the molecular formula C30H29FN2O6 and a molecular weight of 532.57 g/mol. Its IUPAC name is ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate
PubChem CID89299147
Molecular FormulaC30H29FN2O6
Molecular Weight532.57 g/mol
Exact Mass532.20
IUPAC Nameethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(C)c(F)c1
InChIInChI=1S/C30H29FN2O6/c1-4-36-28(34)18-33(30(35)39-25-13-10-20(2)26(31)16-25)17-22-11-14-24(15-12-22)37-19-27-21(3)38-29(32-27)23-8-6-5-7-9-23/h5-16H,4,17-19H2,1-3H3
InChIKeyUSLWNKSZOAXSPI-UHFFFAOYSA-N
XLogP6.24
TPSA91.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.57
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate with MolForge

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Related Compounds

2-[(4-methylphenoxy)carbonyl-[[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetic acid
CID 22087654
2-[[3-(difluoromethoxy)phenoxy]carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-hydroxyphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 161035524
2-[(4-methoxyphenoxy)carbonyl-[[4-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]amino]acetic acid
CID 22087629
2-[(3,4-dimethylphenoxy)carbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087558
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
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propylphenoxy)carbonylamino]acetic acid
CID 22087545
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
(4-methoxyphenyl) N-ethyl-N-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-ynyl]phenyl]methyl]carbamate
CID 22087813
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-[(3-chlorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-fluoro-3-methylphenoxy)carbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(3-fluorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-fluorophenyl)methoxycarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[(4-fluorophenyl)methoxycarbonyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid;2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]methoxycarbonyl]amino]acetic acid
CID 158928339
(3-cyclopropylphenyl) N-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-N-propylcarbamate
CID 22087736
ethyl 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[methyl(phenyl)sulfamoyl]amino]acetate
CID 69361683

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate?
The IUPAC name of ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate (CID 89299147) is ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate.
What is the SMILES notation for ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate?
The canonical SMILES for ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate is CCOC(=O)CN(Cc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)C(=O)Oc1ccc(C)c(F)c1.
What is the InChIKey of ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate?
The InChIKey is USLWNKSZOAXSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29FN2O6/c1-4-36-28(34)18-33(30(35)39-25-13-10-20(2)26(31)16-25)17-22-11-14-24(15-12-22)37-19-27-21(3)38-29(32-27)23-8-6-5-7-9-23/h5-16H,4,17-19H2,1-3H3.
What are the key properties of ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate?
ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate has a molecular weight of 532.57 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-fluoro-4-methylphenoxy)carbonyl-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]amino]acetate is sourced from PubChem (CID 89299147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).