N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide

C21H18Cl2N4O3 — CID 90515047

IUPACN-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)co1)c1ccccc1
InChIInChI=1S/C21H18Cl2N4O3/c22-16-7-6-15(12-17(16)23)26-8-10-27(11-9-26)20(29)18-13-30-21(24-18)25-19(28)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,25,28)
InChIKeyOFKQAYVJIDNGEQ-UHFFFAOYSA-N
MW445.31 g/mol
LogP4.20
Rot. Bonds4

About N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide

N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide (PubChem CID 90515047) has the molecular formula C21H18Cl2N4O3 and a molecular weight of 445.31 g/mol. Its IUPAC name is N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
PubChem CID90515047
Molecular FormulaC21H18Cl2N4O3
Molecular Weight445.31 g/mol
Exact Mass444.08
IUPAC NameN-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)co1)c1ccccc1
InChIInChI=1S/C21H18Cl2N4O3/c22-16-7-6-15(12-17(16)23)26-8-10-27(11-9-26)20(29)18-13-30-21(24-18)25-19(28)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,25,28)
InChIKeyOFKQAYVJIDNGEQ-UHFFFAOYSA-N
XLogP4.20
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90514908
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide
CID 90515030
N-[4-(4-cyclohexylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 90515048
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3,4-dichlorobenzamide
CID 1337040
N-[4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl)-1,3-oxazol-2-yl]benzamide
CID 52907888
N-[(2R)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24739182
N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]furan-2-carboxamide
CID 90515113
N-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxo-1-phenylbutan-2-yl]benzamide
CID 69063884
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 4167422
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
4-chloro-N-[4-(4-phenylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 16915044

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The IUPAC name of N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide (CID 90515047) is N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The canonical SMILES for N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide is O=C(Nc1nc(C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)co1)c1ccccc1.
What is the InChIKey of N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
The InChIKey is OFKQAYVJIDNGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3/c22-16-7-6-15(12-17(16)23)26-8-10-27(11-9-26)20(29)18-13-30-21(24-18)25-19(28)14-4-2-1-3-5-14/h1-7,12-13H,8-11H2,(H,24,25,28).
What are the key properties of N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide?
N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide has a molecular weight of 445.31 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4-dichlorophenyl)piperazine-1-carbonyl]-1,3-oxazol-2-yl]benzamide is sourced from PubChem (CID 90515047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).