N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C21H20ClN5O3 — CID 56503276

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C21H20ClN5O3/c22-16-4-1-5-17(11-16)26-7-9-27(10-8-26)20(28)14-24-21(29)18-12-19(30-25-18)15-3-2-6-23-13-15/h1-6,11-13H,7-10,14H2,(H,24,29)
InChIKeyHSEVOIICNAAFIB-UHFFFAOYSA-N
MW425.88 g/mol
LogP2.47
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 56503276) has the molecular formula C21H20ClN5O3 and a molecular weight of 425.88 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID56503276
Molecular FormulaC21H20ClN5O3
Molecular Weight425.88 g/mol
Exact Mass425.13
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C21H20ClN5O3/c22-16-4-1-5-17(11-16)26-7-9-27(10-8-26)20(28)14-24-21(29)18-12-19(30-25-18)15-3-2-6-23-13-15/h1-6,11-13H,7-10,14H2,(H,24,29)
InChIKeyHSEVOIICNAAFIB-UHFFFAOYSA-N
XLogP2.47
TPSA91.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-piperidin-1-ylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 86832440
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 56502503
2-(aminomethyl)-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119874778
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
4-[4-(3-chlorophenyl)piperazin-1-yl]-4-oxo-N-(pyridin-3-ylmethyl)butanamide
CID 71704556
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 53032686
4-chloro-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]pyridine-2-carboxamide
CID 9255619
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethanone
CID 52998556
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 56504294
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methyl-3-(methylamino)propanamide
CID 119874775
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbutanamide
CID 112994499

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 56503276) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is HSEVOIICNAAFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O3/c22-16-4-1-5-17(11-16)26-7-9-27(10-8-26)20(28)14-24-21(29)18-12-19(30-25-18)15-3-2-6-23-13-15/h1-6,11-13H,7-10,14H2,(H,24,29).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 425.88 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 56503276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).