5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

C25H26ClN5O3 — CID 46407290

IUPAC5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C25H26ClN5O3/c26-20-5-3-18(4-6-20)17-29-11-13-30(14-12-29)24(32)19-7-9-31(10-8-19)25-21(16-27)28-23(34-25)22-2-1-15-33-22/h1-6,15,19H,7-14,17H2
InChIKeyYMSFGJOADWWYDM-UHFFFAOYSA-N
MW479.97 g/mol
LogP4.02
Rot. Bonds5

About 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile

5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (PubChem CID 46407290) has the molecular formula C25H26ClN5O3 and a molecular weight of 479.97 g/mol. Its IUPAC name is 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
PubChem CID46407290
Molecular FormulaC25H26ClN5O3
Molecular Weight479.97 g/mol
Exact Mass479.17
IUPAC Name5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
SMILESN#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1
InChIInChI=1S/C25H26ClN5O3/c26-20-5-3-18(4-6-20)17-29-11-13-30(14-12-29)24(32)19-7-9-31(10-8-19)25-21(16-27)28-23(34-25)22-2-1-15-33-22/h1-6,15,19H,7-14,17H2
InChIKeyYMSFGJOADWWYDM-UHFFFAOYSA-N
XLogP4.02
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.97
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile with MolForge

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Related Compounds

2-(furan-2-yl)-5-[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]piperidin-1-yl]-1,3-oxazole-4-carbonitrile
CID 78862509
4-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]-N,N-diethylpiperazine-1-sulfonamide
CID 55601474
methyl 2-[(4-chlorophenyl)methyl-[1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carbonyl]amino]acetate
CID 55802844
5-[4-[2-(2-chlorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55617993
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N'-[2-(4-fluorophenyl)acetyl]piperidine-4-carbohydrazide
CID 46408047
5-[4-(4,6-difluoro-2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 112833827
N-(2-benzylpyrazol-3-yl)-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 46600329
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[4-(sulfamoylmethyl)phenyl]piperidine-4-carboxamide
CID 55678391
1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 55600848
2-chloro-N'-[2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]acetyl]benzohydrazide
CID 46594649
N-butyl-1-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]-N-phenylpiperidine-4-carboxamide
CID 43062782
5-[4-[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile
CID 55618041

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The IUPAC name of 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile (CID 46407290) is 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CC1.
What is the InChIKey of 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
The InChIKey is YMSFGJOADWWYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O3/c26-20-5-3-18(4-6-20)17-29-11-13-30(14-12-29)24(32)19-7-9-31(10-8-19)25-21(16-27)28-23(34-25)22-2-1-15-33-22/h1-6,15,19H,7-14,17H2.
What are the key properties of 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile?
5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile has a molecular weight of 479.97 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-(furan-2-yl)-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 46407290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).