2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide

C20H19F2N5O2 — CID 59587658

IUPAC2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1cccc(N2CCNCC2)c1
InChIInChI=1S/C20H19F2N5O2/c21-14-5-2-6-15(22)16(14)19-26-17(18(23)28)20(29-19)25-12-3-1-4-13(11-12)27-9-7-24-8-10-27/h1-6,11,24-25H,7-10H2,(H2,23,28)
InChIKeyBTPQGODWNOHIDX-UHFFFAOYSA-N
MW399.40 g/mol
LogP2.87
Rot. Bonds5

About 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide (PubChem CID 59587658) has the molecular formula C20H19F2N5O2 and a molecular weight of 399.40 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
PubChem CID59587658
Molecular FormulaC20H19F2N5O2
Molecular Weight399.40 g/mol
Exact Mass399.15
IUPAC Name2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1cccc(N2CCNCC2)c1
InChIInChI=1S/C20H19F2N5O2/c21-14-5-2-6-15(22)16(14)19-26-17(18(23)28)20(29-19)25-12-3-1-4-13(11-12)27-9-7-24-8-10-27/h1-6,11,24-25H,7-10H2,(H2,23,28)
InChIKeyBTPQGODWNOHIDX-UHFFFAOYSA-N
XLogP2.87
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethylphenyl)-5-(4-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587513
2-(2,6-difluorophenyl)-5-[4-(3-oxopiperazin-1-yl)anilino]-1,3-oxazole-4-carboxamide
CID 59587595
5-[4-(aminomethyl)anilino]-2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide;pyrrolidine
CID 142331047
2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 147644204
2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide
CID 59587467
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
5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide
CID 146529958
4-[(3,5-difluorophenyl)methylamino]-6-(3-piperazin-1-ylanilino)pyridine-3-carboxamide
CID 46219966
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-[(E)-1-imino-5-piperazin-1-ylhex-2-en-2-yl]-1,3-oxazole-4-carboxamide
CID 91479884
5-(4-piperazin-1-ylphenyl)-2-(pyridin-3-ylamino)-1,3-oxazole-4-carboxamide
CID 59587463
2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 68518780

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide (CID 59587658) is 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1cccc(N2CCNCC2)c1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide?
The InChIKey is BTPQGODWNOHIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O2/c21-14-5-2-6-15(22)16(14)19-26-17(18(23)28)20(29-19)25-12-3-1-4-13(11-12)27-9-7-24-8-10-27/h1-6,11,24-25H,7-10H2,(H2,23,28).
What are the key properties of 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide has a molecular weight of 399.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).