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

C27H32Cl2N4O2 — CID 142710297

IUPACN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccccc2)c(C(=O)N(C)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)o1
InChIInChI=1S/C27H32Cl2N4O2/c1-3-9-23-30-25(20-10-5-4-6-11-20)26(35-23)27(34)31(2)14-8-15-32-16-18-33(19-17-32)22-13-7-12-21(28)24(22)29/h4-7,10-13H,3,8-9,14-19H2,1-2H3
InChIKeyXTSGUSXZUOHRNP-UHFFFAOYSA-N
MW515.49 g/mol
LogP5.89
Rot. Bonds9

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

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide (PubChem CID 142710297) has the molecular formula C27H32Cl2N4O2 and a molecular weight of 515.49 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
PubChem CID142710297
Molecular FormulaC27H32Cl2N4O2
Molecular Weight515.49 g/mol
Exact Mass514.19
IUPAC NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
SMILESCCCc1nc(-c2ccccc2)c(C(=O)N(C)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)o1
InChIInChI=1S/C27H32Cl2N4O2/c1-3-9-23-30-25(20-10-5-4-6-11-20)26(35-23)27(34)31(2)14-8-15-32-16-18-33(19-17-32)22-13-7-12-21(28)24(22)29/h4-7,10-13H,3,8-9,14-19H2,1-2H3
InChIKeyXTSGUSXZUOHRNP-UHFFFAOYSA-N
XLogP5.89
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]propyl]-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide
CID 142710308
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 66576693
4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-propyl-1,3-oxazole-5-carboxamide
CID 142710309
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
4-tert-butyl-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-propyl-1,3-oxazole-2-carboxamide
CID 66575750
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]-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-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methyl-1-phenyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54576140
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-2,4-dimethyl-5-phenyl-1H-pyrrole-3-carboxamide
CID 58358816
2-chloro-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-methyl-5-phenyl-2,3-dihydropyrrole-3-carboxamide
CID 89079192

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide (CID 142710297) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide is CCCc1nc(-c2ccccc2)c(C(=O)N(C)CCCN2CCN(c3cccc(Cl)c3Cl)CC2)o1.
What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide?
The InChIKey is XTSGUSXZUOHRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl2N4O2/c1-3-9-23-30-25(20-10-5-4-6-11-20)26(35-23)27(34)31(2)14-8-15-32-16-18-33(19-17-32)22-13-7-12-21(28)24(22)29/h4-7,10-13H,3,8-9,14-19H2,1-2H3.
What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide?
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide has a molecular weight of 515.49 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 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]-N-methyl-4-phenyl-2-propyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 142710297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).