N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide

C24H28N2O3 — CID 70800264

IUPACN-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2cc(CC(C)C)c(C)cc2OCc2ccccc2)on1
InChIInChI=1S/C24H28N2O3/c1-5-25-24(27)21-14-23(29-26-21)20-13-19(11-16(2)3)17(4)12-22(20)28-15-18-9-7-6-8-10-18/h6-10,12-14,16H,5,11,15H2,1-4H3,(H,25,27)
InChIKeyMONXTMBHCBECIB-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.18
Rot. Bonds8

About N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide

N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide (PubChem CID 70800264) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
PubChem CID70800264
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
SMILESCCNC(=O)c1cc(-c2cc(CC(C)C)c(C)cc2OCc2ccccc2)on1
InChIInChI=1S/C24H28N2O3/c1-5-25-24(27)21-14-23(29-26-21)20-13-19(11-16(2)3)17(4)12-22(20)28-15-18-9-7-6-8-10-18/h6-10,12-14,16H,5,11,15H2,1-4H3,(H,25,27)
InChIKeyMONXTMBHCBECIB-UHFFFAOYSA-N
XLogP5.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773353
N-ethyl-5-[5-(2-fluorophenyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24774116
ethyl 5-[5-ethyl-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 24773533
N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 134166507
3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
CID 145125230
1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone;1-(2,4-dihydroxyphenyl)-2-methylpropan-1-one;ethyl 4-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-2,4-dioxobutanoate;ethyl 5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxylate;1-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]ethanone;4-(2-methylpropyl)benzene-1,3-diol
CID 157375205
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
N-ethyl-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 155273411
N-ethyl-4-(4-formylphenyl)-5-[5-(2-phenylethyl)-2,4-bis(phenylmethoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 24773534
N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 134166486
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide (CID 70800264) is N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide is CCNC(=O)c1cc(-c2cc(CC(C)C)c(C)cc2OCc2ccccc2)on1.
What is the InChIKey of N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MONXTMBHCBECIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-5-25-24(27)21-14-23(29-26-21)20-13-19(11-16(2)3)17(4)12-22(20)28-15-18-9-7-6-8-10-18/h6-10,12-14,16H,5,11,15H2,1-4H3,(H,25,27).
What are the key properties of N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide?
N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70800264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).