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

C34H34N2O4 — CID 142932045

IUPACN-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)C1C=C(c2cc(CCc3ccccc3)c(OCc3ccccc3)cc2OCc2ccccc2)ON1
InChIInChI=1S/C34H34N2O4/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/h3-17,20-22,30,36H,2,18-19,23-24H2,1H3,(H,35,37)
InChIKeySGMYBYXXTFDJGK-UHFFFAOYSA-N
MW534.66 g/mol
LogP6.01
Rot. Bonds12

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

N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 142932045) has the molecular formula C34H34N2O4 and a molecular weight of 534.66 g/mol. Its IUPAC name is N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide
PubChem CID142932045
Molecular FormulaC34H34N2O4
Molecular Weight534.66 g/mol
Exact Mass534.25
IUPAC NameN-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)C1C=C(c2cc(CCc3ccccc3)c(OCc3ccccc3)cc2OCc2ccccc2)ON1
InChIInChI=1S/C34H34N2O4/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/h3-17,20-22,30,36H,2,18-19,23-24H2,1H3,(H,35,37)
InChIKeySGMYBYXXTFDJGK-UHFFFAOYSA-N
XLogP6.01
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
N-ethyl-4-(4-formylphenyl)-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773534
N-[4-(4-methoxyphenyl)-3-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazol-5-yl]acetamide
CID 141355277
ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 24773533
(4S,5S)-N-ethyl-5-methyl-2-(4-nitro-2-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
CID 90338367
N-(4-phenylmethoxy-3-propylphenyl)acetamide
CID 57080743
N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
CID 70800264
N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774116
ethyl (2S)-2-(methylamino)-3-[4-(2-phenylethyl)-3-phenylmethoxyphenyl]propanoate
CID 71217588
1-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]butane-1,3-dione
CID 90811092
2-hydroxy-1-(4-phenylmethoxy-3-propylphenyl)ethanone
CID 19910752
methyl 2-[4-(2-methoxyethyl)-2-phenylmethoxyphenyl]acetate
CID 141452623

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide (CID 142932045) is N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide is CCNC(=O)C1C=C(c2cc(CCc3ccccc3)c(OCc3ccccc3)cc2OCc2ccccc2)ON1.
What is the InChIKey of N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is SGMYBYXXTFDJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O4/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/h3-17,20-22,30,36H,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]-2,3-dihydro-1,2-oxazole-3-carboxamide?
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-2,3-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 534.66 g/mol, XLogP of 6.01, 12 rotatable bonds, 2 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]-2,3-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 142932045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).