N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide

C24H36N4O3 — CID 51070802

IUPACN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)c(C)c1
InChIInChI=1S/C24H36N4O3/c1-16(2)15-28(10-8-22(29)25-9-11-27(6)7)24(30)20-14-21(31-26-20)23-18(4)12-17(3)13-19(23)5/h12-14,16H,8-11,15H2,1-7H3,(H,25,29)
InChIKeySRMZRJKUKZWAAD-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.43
Rot. Bonds10

About N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide

N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 51070802) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID51070802
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC NameN-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)c(C)c1
InChIInChI=1S/C24H36N4O3/c1-16(2)15-28(10-8-22(29)25-9-11-27(6)7)24(30)20-14-21(31-26-20)23-18(4)12-17(3)13-19(23)5/h12-14,16H,8-11,15H2,1-7H3,(H,25,29)
InChIKeySRMZRJKUKZWAAD-UHFFFAOYSA-N
XLogP3.43
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-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-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-5-(3-methoxyphenyl)-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 90488192
5-(4-methylphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-pyridin-2-ylethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 51070099
N-[3-(cyclopropylamino)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143908
5-(3-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-(2-phenoxyethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 46111906
3-(N-acetyl-2,4,6-trimethylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113125984
N-(furan-2-ylmethyl)-N-[3-oxo-3-[[(2S)-oxolan-2-yl]methylamino]propyl]-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide
CID 93143894
5-(4-methoxyphenyl)-N-(2-methylpropyl)-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]-1,2-oxazole-3-carboxamide
CID 93139917
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
5-methyl-N-(2-methylpropyl)-N-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]pyrazine-2-carboxamide
CID 3363056
4-amino-N-[2-(dimethylamino)ethyl]-3-methyl-N-(2-methylpropyl)benzamide
CID 60954175
N-[2-(dimethylamino)ethyl]-2-(2,4,6-trimethylanilino)acetamide
CID 108994656
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113117461

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide (CID 51070802) is N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)c(-c2cc(C(=O)N(CCC(=O)NCCN(C)C)CC(C)C)no2)c(C)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SRMZRJKUKZWAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-16(2)15-28(10-8-22(29)25-9-11-27(6)7)24(30)20-14-21(31-26-20)23-18(4)12-17(3)13-19(23)5/h12-14,16H,8-11,15H2,1-7H3,(H,25,29).
What are the key properties of N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide?
N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N-(2-methylpropyl)-5-(2,4,6-trimethylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51070802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).