ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate

C35H32N2O5 — CID 69490039

IUPACethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate
SMILESCCOC(=O)c1ccccc1CN(C(=O)c1ccccc1)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C35H32N2O5/c1-3-40-35(39)31-17-11-10-16-28(31)24-37(34(38)27-14-8-5-9-15-27)29-18-20-30(21-19-29)41-23-22-32-25(2)42-33(36-32)26-12-6-4-7-13-26/h4-21H,3,22-24H2,1-2H3
InChIKeyFBPXIFYAJZYVQF-UHFFFAOYSA-N
MW560.65 g/mol
LogP7.30
Rot. Bonds11

About ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate

ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate (PubChem CID 69490039) has the molecular formula C35H32N2O5 and a molecular weight of 560.65 g/mol. Its IUPAC name is ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate
PubChem CID69490039
Molecular FormulaC35H32N2O5
Molecular Weight560.65 g/mol
Exact Mass560.23
IUPAC Nameethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate
SMILESCCOC(=O)c1ccccc1CN(C(=O)c1ccccc1)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1
InChIInChI=1S/C35H32N2O5/c1-3-40-35(39)31-17-11-10-16-28(31)24-37(34(38)27-14-8-5-9-15-27)29-18-20-30(21-19-29)41-23-22-32-25(2)42-33(36-32)26-12-6-4-7-13-26/h4-21H,3,22-24H2,1-2H3
InChIKeyFBPXIFYAJZYVQF-UHFFFAOYSA-N
XLogP7.30
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate with MolForge

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Related Compounds

2-[[N-(3-fluorophenyl)-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoic acid
CID 10481847
(2S)-2-(2-ethoxycarbonylanilino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 10791917
2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoic acid
CID 22712164
ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
3-ethoxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid
CID 10788402
3-[2-[ethyl(phenyl)carbamoyl]-4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 90909746
ethyl 2-ethoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 74368608
ethane;[2-[3-hydroxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]but-3-enyl]phenyl]-phenylmethanone
CID 143433753
1-hydroxy-3-methyl-1-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]urea
CID 15646286
ethyl (2S)-2-(ethylamino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate;hydrochloride
CID 139706678
4-[2-(4-ethylphenoxy)ethyl]-5-methyl-2-phenyl-1,3-oxazole;1-methyl-4-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]pyrrole-3-carboxylic acid
CID 162081195

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate?
The IUPAC name of ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate (CID 69490039) is ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate.
What is the SMILES notation for ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate?
The canonical SMILES for ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate is CCOC(=O)c1ccccc1CN(C(=O)c1ccccc1)c1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1.
What is the InChIKey of ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate?
The InChIKey is FBPXIFYAJZYVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32N2O5/c1-3-40-35(39)31-17-11-10-16-28(31)24-37(34(38)27-14-8-5-9-15-27)29-18-20-30(21-19-29)41-23-22-32-25(2)42-33(36-32)26-12-6-4-7-13-26/h4-21H,3,22-24H2,1-2H3.
What are the key properties of ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate?
ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate has a molecular weight of 560.65 g/mol, XLogP of 7.30, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[N-benzoyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]anilino]methyl]benzoate is sourced from PubChem (CID 69490039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).