N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide

C29H37N5O2 — CID 46352760

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1
InChIInChI=1S/C29H37N5O2/c1-3-33-15-7-10-26(33)20-30-28(35)23-11-13-24(14-12-23)29-31-27(22(2)36-29)21-32-16-18-34(19-17-32)25-8-5-4-6-9-25/h4-6,8-9,11-14,26H,3,7,10,15-21H2,1-2H3,(H,30,35)
InChIKeySQHZQVWHXCNMDW-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.19
Rot. Bonds8

About N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 46352760) has the molecular formula C29H37N5O2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
PubChem CID46352760
Molecular FormulaC29H37N5O2
Molecular Weight487.65 g/mol
Exact Mass487.29
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
SMILESCCN1CCCC1CNC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1
InChIInChI=1S/C29H37N5O2/c1-3-33-15-7-10-26(33)20-30-28(35)23-11-13-24(14-12-23)29-31-27(22(2)36-29)21-32-16-18-34(19-17-32)25-8-5-4-6-9-25/h4-6,8-9,11-14,26H,3,7,10,15-21H2,1-2H3,(H,30,35)
InChIKeySQHZQVWHXCNMDW-UHFFFAOYSA-N
XLogP4.19
TPSA64.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide 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

4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 50800086
N-methyl-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577703
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
N-[2-(3-methylphenyl)ethyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577704
4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 22577768
4-[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 20955738
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-3-ol
CID 110883667
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(2-phenylimidazo[4,5-b]pyridin-3-yl)benzamide
CID 92706241
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
3-[4-(azepan-1-yl)phenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057371

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide (CID 46352760) is N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide is CCN1CCCC1CNC(=O)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)c(C)o2)cc1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is SQHZQVWHXCNMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O2/c1-3-33-15-7-10-26(33)20-30-28(35)23-11-13-24(14-12-23)29-31-27(22(2)36-29)21-32-16-18-34(19-17-32)25-8-5-4-6-9-25/h4-6,8-9,11-14,26H,3,7,10,15-21H2,1-2H3,(H,30,35).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 487.65 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 46352760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).