N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene

C30H32Cl2N4O2 — CID 175513252

IUPACN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene
SMILESO=C(NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)c1ncco1.c1ccc2ccccc2c1
InChIInChI=1S/C20H24Cl2N4O2.C10H8/c21-16-2-1-3-17(18(16)22)26-9-7-25(8-10-26)6-4-14-12-15(13-14)24-19(27)20-23-5-11-28-20;1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,24,27);1-8H
InChIKeyJQLDNNKXFJDXQA-UHFFFAOYSA-N
MW551.52 g/mol
LogP6.54
Rot. Bonds6

About N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene

N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene (PubChem CID 175513252) has the molecular formula C30H32Cl2N4O2 and a molecular weight of 551.52 g/mol. Its IUPAC name is N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene.

Molecular Properties

Compound NameN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene
PubChem CID175513252
Molecular FormulaC30H32Cl2N4O2
Molecular Weight551.52 g/mol
Exact Mass550.19
IUPAC NameN-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene
SMILESO=C(NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)c1ncco1.c1ccc2ccccc2c1
InChIInChI=1S/C20H24Cl2N4O2.C10H8/c21-16-2-1-3-17(18(16)22)26-9-7-25(8-10-26)6-4-14-12-15(13-14)24-19(27)20-23-5-11-28-20;1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,24,27);1-8H
InChIKeyJQLDNNKXFJDXQA-UHFFFAOYSA-N
XLogP6.54
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.52
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene?
The IUPAC name of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene (CID 175513252) is N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene.
What is the SMILES notation for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene?
The canonical SMILES for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene is O=C(NC1CC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)C1)c1ncco1.c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene?
The InChIKey is JQLDNNKXFJDXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N4O2.C10H8/c21-16-2-1-3-17(18(16)22)26-9-7-25(8-10-26)6-4-14-12-15(13-14)24-19(27)20-23-5-11-28-20;1-2-6-10-8-4-3-7-9(10)5-1/h1-3,5,11,14-15H,4,6-10,12-13H2,(H,24,27);1-8H.
What are the key properties of N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene?
N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene has a molecular weight of 551.52 g/mol, XLogP of 6.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide;naphthalene is sourced from PubChem (CID 175513252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).