2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide

C21H20ClFN4O2 — CID 147644204

IUPAC2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H20ClFN4O2/c22-15-5-4-6-16(23)17(15)20-26-18(19(24)28)21(29-20)25-13-7-9-14(10-8-13)27-11-2-1-3-12-27/h4-10,25H,1-3,11-12H2,(H2,24,28)
InChIKeyGIFJPBOPAUISAC-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.97
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide

2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide (PubChem CID 147644204) has the molecular formula C21H20ClFN4O2 and a molecular weight of 414.87 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
PubChem CID147644204
Molecular FormulaC21H20ClFN4O2
Molecular Weight414.87 g/mol
Exact Mass414.13
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C21H20ClFN4O2/c22-15-5-4-6-16(23)17(15)20-26-18(19(24)28)21(29-20)25-13-7-9-14(10-8-13)27-11-2-1-3-12-27/h4-10,25H,1-3,11-12H2,(H2,24,28)
InChIKeyGIFJPBOPAUISAC-UHFFFAOYSA-N
XLogP4.97
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-5-[4-(cyclohexylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide;2-(2-chloro-6-fluorophenyl)-5-[4-(piperidine-1-carbonyl)anilino]-1,3-oxazole-4-carboxamide
CID 167560687
2-(2,6-difluorophenyl)-5-[4-(3-oxopiperazin-1-yl)anilino]-1,3-oxazole-4-carboxamide
CID 59587595
2-(2,6-dimethylphenyl)-5-(4-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587513
2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587658
5-[4-(aminomethyl)anilino]-2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;pyrrolidine
CID 142331047
2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide
CID 59587397
2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
CID 71727666
3-(2-chloro-6-fluorophenyl)-5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 7922491
2-(2,6-difluorophenyl)-5-[4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)carbamoyl]anilino]-1,3-oxazole-4-carboxamide
CID 59587374
3-(4-piperidin-1-ylanilino)quinoxaline-2-carboxamide
CID 11772395
5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide
CID 146529958
2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide
CID 59587467

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide (CID 147644204) is 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide?
The InChIKey is GIFJPBOPAUISAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN4O2/c22-15-5-4-6-16(23)17(15)20-26-18(19(24)28)21(29-20)25-13-7-9-14(10-8-13)27-11-2-1-3-12-27/h4-10,25H,1-3,11-12H2,(H2,24,28).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide?
2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide has a molecular weight of 414.87 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 147644204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).