N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide

C26H31N5O3 — CID 20955645

IUPACN-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
SMILESCNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(C)c4C)CC3)c(C)o2)cc1
InChIInChI=1S/C26H31N5O3/c1-17-6-5-7-22(18(17)2)29-26(33)31-14-12-30(13-15-31)16-23-19(3)34-25(28-23)21-10-8-20(9-11-21)24(32)27-4/h5-11H,12-16H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyNJLZIWPWEWBARK-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.98
Rot. Bonds5

About N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide

N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide (PubChem CID 20955645) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
PubChem CID20955645
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC NameN-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
SMILESCNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(C)c4C)CC3)c(C)o2)cc1
InChIInChI=1S/C26H31N5O3/c1-17-6-5-7-22(18(17)2)29-26(33)31-14-12-30(13-15-31)16-23-19(3)34-25(28-23)21-10-8-20(9-11-21)24(32)27-4/h5-11H,12-16H2,1-4H3,(H,27,32)(H,29,33)
InChIKeyNJLZIWPWEWBARK-UHFFFAOYSA-N
XLogP3.98
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-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-methyl-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577703
4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 22577768
N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577767
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide
CID 46352771
4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 46352774
N-(4-chlorophenyl)-4-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364592
ethyl 4-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxylate
CID 28872252
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
N-(2,5-dimethoxyphenyl)-4-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 46364569
(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide (CID 20955645) is N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide is CNC(=O)c1ccc(-c2nc(CN3CCN(C(=O)Nc4cccc(C)c4C)CC3)c(C)o2)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
The InChIKey is NJLZIWPWEWBARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-17-6-5-7-22(18(17)2)29-26(33)31-14-12-30(13-15-31)16-23-19(3)34-25(28-23)21-10-8-20(9-11-21)24(32)27-4/h5-11H,12-16H2,1-4H3,(H,27,32)(H,29,33).
What are the key properties of N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide?
N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide has a molecular weight of 461.57 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 20955645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).