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

C45H42Cl2F2N8O6 — CID 167560687

IUPAC2-(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
SMILESNC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCCCC2)cc1.NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H22ClFN4O3.C22H20ClFN4O3/c24-16-7-4-8-17(25)18(16)22-29-19(20(26)30)23(32-22)28-15-11-9-13(10-12-15)21(31)27-14-5-2-1-3-6-14;23-15-5-4-6-16(24)17(15)20-27-18(19(25)29)21(31-20)26-14-9-7-13(8-10-14)22(30)28-11-2-1-3-12-28/h4,7-12,14,28H,1-3,5-6H2,(H2,26,30)(H,27,31);4-10,26H,1-3,11-12H2,(H2,25,29)
InChIKeyDPPXRFQASDRPEX-UHFFFAOYSA-N
MW899.78 g/mol
LogP9.64
Rot. Bonds11

About 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

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 (PubChem CID 167560687) has the molecular formula C45H42Cl2F2N8O6 and a molecular weight of 899.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID167560687
Molecular FormulaC45H42Cl2F2N8O6
Molecular Weight899.78 g/mol
Exact Mass898.26
IUPAC Name2-(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
SMILESNC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCCCC2)cc1.NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C23H22ClFN4O3.C22H20ClFN4O3/c24-16-7-4-8-17(25)18(16)22-29-19(20(26)30)23(32-22)28-15-11-9-13(10-12-15)21(31)27-14-5-2-1-3-6-14;23-15-5-4-6-16(24)17(15)20-27-18(19(25)29)21(31-20)26-14-9-7-13(8-10-14)22(30)28-11-2-1-3-12-28/h4,7-12,14,28H,1-3,5-6H2,(H2,26,30)(H,27,31);4-10,26H,1-3,11-12H2,(H2,25,29)
InChIKeyDPPXRFQASDRPEX-UHFFFAOYSA-N
XLogP9.64
TPSA211.71 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500899.78
LogP ≤ 59.64
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

2-(2,6-dichlorophenyl)-5-[4-[[(3S)-piperidin-3-yl]carbamoyl]anilino]-1,3-oxazole-4-carboxamide
CID 71727666
2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 147644204
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
N-cyclopropyl-4-(pyrrolidine-1-carbonyl)benzamide
CID 109043261
N-cycloheptyl-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051684
2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide
CID 59587397
2-(2-chloro-6-fluorocyclohexa-2,4-dien-1-yl)-5-[4-(morpholine-4-carbonyl)anilino]-1,3-oxazole-4-carboxamide
CID 167014281
2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587658
4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]-N-cyclohexylbenzamide
CID 54841677
N-cyclohexyl-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109044727
4-[[2-(2,6-difluorophenyl)-1,3-oxazol-5-yl]amino]-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 141370485
1-(2,6-difluorophenyl)-4-[4-(oxan-4-ylcarbamoyl)anilino]pyrazole-3-carboxamide
CID 162440103

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)N2CCCCC2)cc1.NC(=O)c1nc(-c2c(F)cccc2Cl)oc1Nc1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 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?
The InChIKey is DPPXRFQASDRPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O3.C22H20ClFN4O3/c24-16-7-4-8-17(25)18(16)22-29-19(20(26)30)23(32-22)28-15-11-9-13(10-12-15)21(31)27-14-5-2-1-3-6-14;23-15-5-4-6-16(24)17(15)20-27-18(19(25)29)21(31-20)26-14-9-7-13(8-10-14)22(30)28-11-2-1-3-12-28/h4,7-12,14,28H,1-3,5-6H2,(H2,26,30)(H,27,31);4-10,26H,1-3,11-12H2,(H2,25,29).
What are the key properties of 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?
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 has a molecular weight of 899.78 g/mol, XLogP of 9.64, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167560687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).