N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide

C27H32Cl2N4O2 — CID 142710308

IUPACN-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccccc2)c(C(=O)NCCCN2CCN(Cc3cccc(Cl)c3Cl)CC2)o1
InChIInChI=1S/C27H32Cl2N4O2/c1-2-8-23-31-25(20-9-4-3-5-10-20)26(35-23)27(34)30-13-7-14-32-15-17-33(18-16-32)19-21-11-6-12-22(28)24(21)29/h3-6,9-12H,2,7-8,13-19H2,1H3,(H,30,34)
InChIKeyIAXGFMJSRXYDSA-UHFFFAOYSA-N
MW515.49 g/mol
LogP5.54
Rot. Bonds10

About N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide

N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide (PubChem CID 142710308) has the molecular formula C27H32Cl2N4O2 and a molecular weight of 515.49 g/mol. Its IUPAC name is N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
PubChem CID142710308
Molecular FormulaC27H32Cl2N4O2
Molecular Weight515.49 g/mol
Exact Mass514.19
IUPAC NameN-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccccc2)c(C(=O)NCCCN2CCN(Cc3cccc(Cl)c3Cl)CC2)o1
InChIInChI=1S/C27H32Cl2N4O2/c1-2-8-23-31-25(20-9-4-3-5-10-20)26(35-23)27(34)30-13-7-14-32-15-17-33(18-16-32)19-21-11-6-12-22(28)24(21)29/h3-6,9-12H,2,7-8,13-19H2,1H3,(H,30,34)
InChIKeyIAXGFMJSRXYDSA-UHFFFAOYSA-N
XLogP5.54
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.49
LogP ≤ 55.54
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

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 66576693
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
CID 142710297
4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-propyl-1,3-oxazole-5-carboxamide
CID 142710309
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418573
4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide
CID 66575750
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
CID 90665201
2,3-dichloro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 38448999
1-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-2,3-dihydropyrrole-3-carboxamide
CID 70897852
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
CID 54576142
1-[(2-bromophenyl)methyl]-N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-5-propyltriazole-4-carboxamide
CID 11628664
N-[4-(4-benzylpiperazin-1-yl)butyl]-3-phenylfuran-2-carboxamide
CID 55932766
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-5-phenyl-1-propylpyrrole-3-carboxamide;hydrochloride
CID 45279857

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide (CID 142710308) is N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide is CCCc1nc(-c2ccccc2)c(C(=O)NCCCN2CCN(Cc3cccc(Cl)c3Cl)CC2)o1.
What is the InChIKey of N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide?
The InChIKey is IAXGFMJSRXYDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4O2/c1-2-8-23-31-25(20-9-4-3-5-10-20)26(35-23)27(34)30-13-7-14-32-15-17-33(18-16-32)19-21-11-6-12-22(28)24(21)29/h3-6,9-12H,2,7-8,13-19H2,1H3,(H,30,34).
What are the key properties of N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide?
N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide has a molecular weight of 515.49 g/mol, XLogP of 5.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 142710308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).