3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane

C32H38N2O4 — CID 145125230

IUPAC3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
SMILESCC.CCNC(=O)c1onc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1C
InChIInChI=1S/C30H32N2O4.C2H6/c1-5-31-30(33)29-21(4)28(32-36-29)25-16-24(20(2)3)26(34-18-22-12-8-6-9-13-22)17-27(25)35-19-23-14-10-7-11-15-23;1-2/h6-17,20H,5,18-19H2,1-4H3,(H,31,33);1-2H3
InChIKeyITCOUDLNEZEISM-UHFFFAOYSA-N
MW514.67 g/mol
LogP7.71
Rot. Bonds10

About 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane

3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane (PubChem CID 145125230) has the molecular formula C32H38N2O4 and a molecular weight of 514.67 g/mol. Its IUPAC name is 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane.

Molecular Properties

Compound Name3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
PubChem CID145125230
Molecular FormulaC32H38N2O4
Molecular Weight514.67 g/mol
Exact Mass514.28
IUPAC Name3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
SMILESCC.CCNC(=O)c1onc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1C
InChIInChI=1S/C30H32N2O4.C2H6/c1-5-31-30(33)29-21(4)28(32-36-29)25-16-24(20(2)3)26(34-18-22-12-8-6-9-13-22)17-27(25)35-19-23-14-10-7-11-15-23;1-2/h6-17,20H,5,18-19H2,1-4H3,(H,31,33);1-2H3
InChIKeyITCOUDLNEZEISM-UHFFFAOYSA-N
XLogP7.71
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 57.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 134166507
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(2-ethyltetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67374989
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(oxiran-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
CID 87376641
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-thiophen-3-yl-1,2-oxazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67375076
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,2-oxazole-3-carboxamide
CID 135265032
4-amino-5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-1,2-oxazole-3-carboxylic acid
CID 123210670
N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
CID 70800264
N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[2-(2-ethylsulfonylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]-1,2-oxazole-3-carboxamide
CID 135265010
N-[5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-ethyl-1-methylpyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 140602316
N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774116
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-4-[2-[2-(dimethylamino)acetyl]-3,4-dihydro-1H-isoquinolin-6-yl]-N-ethyl-1,2-oxazole-3-carboxamide
CID 135265013

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane?
The IUPAC name of 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane (CID 145125230) is 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane.
What is the SMILES notation for 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane?
The canonical SMILES for 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane is CC.CCNC(=O)c1onc(-c2cc(C(C)C)c(OCc3ccccc3)cc2OCc2ccccc2)c1C.
What is the InChIKey of 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane?
The InChIKey is ITCOUDLNEZEISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O4.C2H6/c1-5-31-30(33)29-21(4)28(32-36-29)25-16-24(20(2)3)26(34-18-22-12-8-6-9-13-22)17-27(25)35-19-23-14-10-7-11-15-23;1-2/h6-17,20H,5,18-19H2,1-4H3,(H,31,33);1-2H3.
What are the key properties of 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane?
3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane has a molecular weight of 514.67 g/mol, XLogP of 7.71, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane is sourced from PubChem (CID 145125230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).