4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

C24H27ClN4O2 — CID 10225174

IUPAC4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)on3)cc2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-28-13-15-29(16-14-28)12-2-11-26-24(30)20-5-3-18(4-6-20)22-17-23(31-27-22)19-7-9-21(25)10-8-19/h3-10,17H,2,11-16H2,1H3,(H,26,30)
InChIKeyUUBZNIGBYYETQU-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.03
Rot. Bonds7

About 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide

4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (PubChem CID 10225174) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
PubChem CID10225174
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
SMILESCN1CCN(CCCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)on3)cc2)CC1
InChIInChI=1S/C24H27ClN4O2/c1-28-13-15-29(16-14-28)12-2-11-26-24(30)20-5-3-18(4-6-20)22-17-23(31-27-22)19-7-9-21(25)10-8-19/h3-10,17H,2,11-16H2,1H3,(H,26,30)
InChIKeyUUBZNIGBYYETQU-UHFFFAOYSA-N
XLogP4.03
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-chlorophenyl)-5-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1,2-oxazole
CID 10112327
4-bromo-3-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 80965947
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878605
N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
4-chloro-N-[3-[3-(4-ethylpiperazin-1-yl)propylamino]-3-oxopropyl]benzamide
CID 55662734
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 146242192
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
4-bromo-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866753
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 3241430

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide (CID 10225174) is 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is CN1CCN(CCCNC(=O)c2ccc(-c3cc(-c4ccc(Cl)cc4)on3)cc2)CC1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
The InChIKey is UUBZNIGBYYETQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-28-13-15-29(16-14-28)12-2-11-26-24(30)20-5-3-18(4-6-20)22-17-23(31-27-22)19-7-9-21(25)10-8-19/h3-10,17H,2,11-16H2,1H3,(H,26,30).
What are the key properties of 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide?
4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide has a molecular weight of 438.96 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 10225174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).