ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate

C23H26N2O4 — CID 71497486

IUPACethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(NCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C23H26N2O4/c1-5-27-22(26)23(3,4)29-19-13-11-18(12-14-19)24-15-20-16(2)28-21(25-20)17-9-7-6-8-10-17/h6-14,24H,5,15H2,1-4H3
InChIKeyGHPMTNLDXCBBIT-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.98
Rot. Bonds8

About ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate

ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate (PubChem CID 71497486) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate
PubChem CID71497486
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1ccc(NCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C23H26N2O4/c1-5-27-22(26)23(3,4)29-19-13-11-18(12-14-19)24-15-20-16(2)28-21(25-20)17-9-7-6-8-10-17/h6-14,24H,5,15H2,1-4H3
InChIKeyGHPMTNLDXCBBIT-UHFFFAOYSA-N
XLogP4.98
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958
ethyl 2-[2,6-dimethyl-4-[[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]methyl]phenoxy]-2-methylpropanoate
CID 58964667
ethyl 2-[4-[2-[2-(4-hydroxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 135617795
ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 23589999
2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoic acid
CID 22712164
ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 69232281
4-[3-[4-[2-[3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)oxyphenoxy]ethyl]-5-methyl-1,3-oxazol-2-yl]phenyl]benzoic acid
CID 22633475
ethyl 2-[4-[[[2-(cyclopropylamino)-2-oxoethyl]-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]amino]methyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 23159323
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl N-tert-butylcarbamate
CID 174457972
2-methyl-2-[4-[2-[5-methyl-2-[4-(4-methylphenyl)phenyl]-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid
CID 59900655
ethane;ethyl 2-methyl-2-phenoxypropanoate;phenol
CID 159600538
ethyl (3E)-2,2-dimethyl-3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxyimino]-3-phenylpropanoate
CID 86589823

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate (CID 71497486) is ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate is CCOC(=O)C(C)(C)Oc1ccc(NCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate?
The InChIKey is GHPMTNLDXCBBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-5-27-22(26)23(3,4)29-19-13-11-18(12-14-19)24-15-20-16(2)28-21(25-20)17-9-7-6-8-10-17/h6-14,24H,5,15H2,1-4H3.
What are the key properties of ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate?
ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate has a molecular weight of 394.47 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methylamino]phenoxy]propanoate is sourced from PubChem (CID 71497486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).