3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide

C27H25N3O4 — CID 35140199

IUPAC3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide
SMILESCCOc1ccc(-c2c(C(=O)NCc3ccccc3)noc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H25N3O4/c1-2-33-22-15-13-21(14-16-22)23-24(26(31)28-17-19-9-5-3-6-10-19)30-34-25(23)27(32)29-18-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3,(H,28,31)(H,29,32)
InChIKeySSVAMHFRTQLVNX-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.60
Rot. Bonds9

About 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide

3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide (PubChem CID 35140199) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide
PubChem CID35140199
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide
SMILESCCOc1ccc(-c2c(C(=O)NCc3ccccc3)noc2C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C27H25N3O4/c1-2-33-22-15-13-21(14-16-22)23-24(26(31)28-17-19-9-5-3-6-10-19)30-34-25(23)27(32)29-18-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3,(H,28,31)(H,29,32)
InChIKeySSVAMHFRTQLVNX-UHFFFAOYSA-N
XLogP4.60
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 46083104
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-[(4-ethoxyphenyl)methyl]-4-hydroxy-1-phenylisoquinoline-3-carboxamide
CID 50785613
4-ethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 54774049
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
5-acetyl-4-amino-N-benzyl-1,2-oxazole-3-carboxamide
CID 5302838
N-benzyl-3-[2-[(4-ethoxyphenyl)carbamoyl-methylamino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 50818923
N-benzyl-N,5-bis(4-ethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 35133566
N-benzyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]pyridin-1-ium-4-carboxamide chloride
CID 171114767
N-[(4-ethoxyphenyl)methyl]-5-methyl-4-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 46341215
N-benzyl-2-(4-ethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109327296

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide (CID 35140199) is 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide is CCOc1ccc(-c2c(C(=O)NCc3ccccc3)noc2C(=O)NCc2ccccc2)cc1.
What is the InChIKey of 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide?
The InChIKey is SSVAMHFRTQLVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-2-33-22-15-13-21(14-16-22)23-24(26(31)28-17-19-9-5-3-6-10-19)30-34-25(23)27(32)29-18-20-11-7-4-8-12-20/h3-16H,2,17-18H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide?
3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide has a molecular weight of 455.51 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-dibenzyl-4-(4-ethoxyphenyl)-1,2-oxazole-3,5-dicarboxamide is sourced from PubChem (CID 35140199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).