N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide

C34H32N2O4 — CID 24773353

IUPACN-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2cc(CCc3ccccc3)c(OCc3ccccc3)cc2OCc2ccccc2)on1
InChIInChI=1S/C34H32N2O4/c1-2-35-34(37)30-21-33(40-36-30)29-20-28(19-18-25-12-6-3-7-13-25)31(38-23-26-14-8-4-9-15-26)22-32(29)39-24-27-16-10-5-11-17-27/h3-17,20-22H,2,18-19,23-24H2,1H3,(H,35,37)
InChIKeyDBNZOHJEKRWFMM-UHFFFAOYSA-N
MW532.64 g/mol
LogP7.03
Rot. Bonds12

About N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 24773353) has the molecular formula C34H32N2O4 and a molecular weight of 532.64 g/mol. Its IUPAC name is N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID24773353
Molecular FormulaC34H32N2O4
Molecular Weight532.64 g/mol
Exact Mass532.24
IUPAC NameN-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2cc(CCc3ccccc3)c(OCc3ccccc3)cc2OCc2ccccc2)on1
InChIInChI=1S/C34H32N2O4/c1-2-35-34(37)30-21-33(40-36-30)29-20-28(19-18-25-12-6-3-7-13-25)31(38-23-26-14-8-4-9-15-26)22-32(29)39-24-27-16-10-5-11-17-27/h3-17,20-22H,2,18-19,23-24H2,1H3,(H,35,37)
InChIKeyDBNZOHJEKRWFMM-UHFFFAOYSA-N
XLogP7.03
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.64
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774116
N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
CID 70800264
ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 24773533
N-ethyl-4-(4-formylphenyl)-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773534
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide
CID 142932045
methyl 5-[2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791660
N-ethyl-5-[2-(4-nitrophenoxy)-4,6-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 66759174
3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
CID 145125230
N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
CID 141355277
N-ethyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 155273411
4-bromo-N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774044
N-ethyl-5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 24773624

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide (CID 24773353) is N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1cc(-c2cc(CCc3ccccc3)c(OCc3ccccc3)cc2OCc2ccccc2)on1.
What is the InChIKey of N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DBNZOHJEKRWFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2O4/c1-2-35-34(37)30-21-33(40-36-30)29-20-28(19-18-25-12-6-3-7-13-25)31(38-23-26-14-8-4-9-15-26)22-32(29)39-24-27-16-10-5-11-17-27/h3-17,20-22H,2,18-19,23-24H2,1H3,(H,35,37).
What are the key properties of N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 532.64 g/mol, XLogP of 7.03, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24773353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).