N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C24H28N4O2 — CID 55843020

IUPACN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)no3)cc2)CC1
InChIInChI=1S/C24H28N4O2/c1-3-27-12-14-28(15-13-27)17-19-6-10-21(11-7-19)25-24(29)23-16-22(26-30-23)20-8-4-18(2)5-9-20/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)
InChIKeyDPRHDNLHRNNOTA-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.04
Rot. Bonds6

About N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 55843020) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID55843020
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)no3)cc2)CC1
InChIInChI=1S/C24H28N4O2/c1-3-27-12-14-28(15-13-27)17-19-6-10-21(11-7-19)25-24(29)23-16-22(26-30-23)20-8-4-18(2)5-9-20/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29)
InChIKeyDPRHDNLHRNNOTA-UHFFFAOYSA-N
XLogP4.04
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-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

3-(4-methylphenyl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-5-carboxamide
CID 38497755
[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38429477
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38431752
3-(3-chlorophenyl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-1,2-oxazole-5-carboxamide
CID 86874536
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22194960
3-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117465659
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
5-amino-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-methylbenzamide
CID 120647871
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915237
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55645598
3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 46445645

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 55843020) is N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is CCN1CCN(Cc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)no3)cc2)CC1.
What is the InChIKey of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is DPRHDNLHRNNOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-3-27-12-14-28(15-13-27)17-19-6-10-21(11-7-19)25-24(29)23-16-22(26-30-23)20-8-4-18(2)5-9-20/h4-11,16H,3,12-15,17H2,1-2H3,(H,25,29).
What are the key properties of N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55843020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).