2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide

C22H21F2N5O3 — CID 59587554

IUPAC2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)NC2CCNCC2)cc1
InChIInChI=1S/C22H21F2N5O3/c23-15-2-1-3-16(24)17(15)21-29-18(19(25)30)22(32-21)28-13-6-4-12(5-7-13)20(31)27-14-8-10-26-11-9-14/h1-7,14,26,28H,8-11H2,(H2,25,30)(H,27,31)
InChIKeyLOXGJAFFTNHMKC-UHFFFAOYSA-N
MW441.44 g/mol
LogP2.94
Rot. Bonds6

About 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 59587554) has the molecular formula C22H21F2N5O3 and a molecular weight of 441.44 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide
PubChem CID59587554
Molecular FormulaC22H21F2N5O3
Molecular Weight441.44 g/mol
Exact Mass441.16
IUPAC Name2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)NC2CCNCC2)cc1
InChIInChI=1S/C22H21F2N5O3/c23-15-2-1-3-16(24)17(15)21-29-18(19(25)30)22(32-21)28-13-6-4-12(5-7-13)20(31)27-14-8-10-26-11-9-14/h1-7,14,26,28H,8-11H2,(H2,25,30)(H,27,31)
InChIKeyLOXGJAFFTNHMKC-UHFFFAOYSA-N
XLogP2.94
TPSA122.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.44
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide (CID 59587554) is 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(C(=O)NC2CCNCC2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is LOXGJAFFTNHMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N5O3/c23-15-2-1-3-16(24)17(15)21-29-18(19(25)30)22(32-21)28-13-6-4-12(5-7-13)20(31)27-14-8-10-26-11-9-14/h1-7,14,26,28H,8-11H2,(H2,25,30)(H,27,31).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 2.94, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-(piperidin-4-ylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).