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

C19H16F2N4O3 — CID 59587619

IUPAC2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C19H16F2N4O3/c1-25(2)19(27)10-6-8-11(9-7-10)23-18-15(16(22)26)24-17(28-18)14-12(20)4-3-5-13(14)21/h3-9,23H,1-2H3,(H2,22,26)
InChIKeyZDPJKNQCCAKNEI-UHFFFAOYSA-N
MW386.36 g/mol
LogP3.16
Rot. Bonds5

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

2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide (PubChem CID 59587619) has the molecular formula C19H16F2N4O3 and a molecular weight of 386.36 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide
PubChem CID59587619
Molecular FormulaC19H16F2N4O3
Molecular Weight386.36 g/mol
Exact Mass386.12
IUPAC Name2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide
SMILESCN(C)C(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C19H16F2N4O3/c1-25(2)19(27)10-6-8-11(9-7-10)23-18-15(16(22)26)24-17(28-18)14-12(20)4-3-5-13(14)21/h3-9,23H,1-2H3,(H2,22,26)
InChIKeyZDPJKNQCCAKNEI-UHFFFAOYSA-N
XLogP3.16
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide (CID 59587619) is 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide is CN(C)C(=O)c1ccc(Nc2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide?
The InChIKey is ZDPJKNQCCAKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O3/c1-25(2)19(27)10-6-8-11(9-7-10)23-18-15(16(22)26)24-17(28-18)14-12(20)4-3-5-13(14)21/h3-9,23H,1-2H3,(H2,22,26).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide has a molecular weight of 386.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-(dimethylcarbamoyl)anilino]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 59587619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).