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

C24H26Cl2N4O2 — CID 66576693

IUPACN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)o1
InChIInChI=1S/C24H26Cl2N4O2/c1-17-28-22(18-7-3-2-4-8-18)23(32-17)24(31)27-11-6-12-29-13-15-30(16-14-29)20-10-5-9-19(25)21(20)26/h2-5,7-10H,6,11-16H2,1H3,(H,27,31)
InChIKeyHRCXNOWIQKPILS-UHFFFAOYSA-N
MW473.40 g/mol
LogP4.90
Rot. Bonds7

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

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 66576693) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
PubChem CID66576693
Molecular FormulaC24H26Cl2N4O2
Molecular Weight473.40 g/mol
Exact Mass472.14
IUPAC NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)o1
InChIInChI=1S/C24H26Cl2N4O2/c1-17-28-22(18-7-3-2-4-8-18)23(32-17)24(31)27-11-6-12-29-13-15-30(16-14-29)20-10-5-9-19(25)21(20)26/h2-5,7-10H,6,11-16H2,1H3,(H,27,31)
InChIKeyHRCXNOWIQKPILS-UHFFFAOYSA-N
XLogP4.90
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.40
LogP ≤ 54.90
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]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
CID 90665201
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
CID 54576142
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxamide
CID 54576586
N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
CID 142710308
4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-propyl-1,3-oxazole-5-carboxamide
CID 142710309
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 58358816
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1-piperidin-1-ylpyrrole-3-carboxamide
CID 45278883
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
CID 142710297
1-benzyl-N-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-5-methyltriazole-4-carboxamide
CID 11540842
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2,4-dimethyl-5-phenyl-1-propylpyrrole-3-carboxamide;hydrochloride
CID 45279857
(3-phenylphenyl) N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
CID 90467170
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-methyl-5-phenylpyrrole-3-carboxamide
CID 45278886

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide (CID 66576693) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NCCCN2CCN(c3cccc(Cl)c3Cl)CC2)o1.
What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is HRCXNOWIQKPILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-17-28-22(18-7-3-2-4-8-18)23(32-17)24(31)27-11-6-12-29-13-15-30(16-14-29)20-10-5-9-19(25)21(20)26/h2-5,7-10H,6,11-16H2,1H3,(H,27,31).
What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide?
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 473.40 g/mol, XLogP of 4.90, 7 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)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 66576693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).