2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane

C21H18F2N4O4 — CID 157365610

IUPAC2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane
SMILESC.NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(-c2cc(CO)on2)cc1
InChIInChI=1S/C20H14F2N4O4.CH4/c21-13-2-1-3-14(22)16(13)19-25-17(18(23)28)20(29-19)24-11-6-4-10(5-7-11)15-8-12(9-27)30-26-15;/h1-8,24,27H,9H2,(H2,23,28);1H4
InChIKeyBJDHOCPWYADWTE-UHFFFAOYSA-N
MW428.40 g/mol
LogP4.25
Rot. Bonds6

About 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane

2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane (PubChem CID 157365610) has the molecular formula C21H18F2N4O4 and a molecular weight of 428.40 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane
PubChem CID157365610
Molecular FormulaC21H18F2N4O4
Molecular Weight428.40 g/mol
Exact Mass428.13
IUPAC Name2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane
SMILESC.NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(-c2cc(CO)on2)cc1
InChIInChI=1S/C20H14F2N4O4.CH4/c21-13-2-1-3-14(22)16(13)19-25-17(18(23)28)20(29-19)24-11-6-4-10(5-7-11)15-8-12(9-27)30-26-15;/h1-8,24,27H,9H2,(H2,23,28);1H4
InChIKeyBJDHOCPWYADWTE-UHFFFAOYSA-N
XLogP4.25
TPSA127.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.40
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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-difluorophenyl)-5-[4-(3-oxopiperazin-1-yl)anilino]-1,3-oxazole-4-carboxamide
CID 59587595
5-(4-methylsulfinylanilino)-2-(2,4,6-trifluorophenyl)-1,3-oxazole-4-carboxamide
CID 146529958
2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 147644204
2-(2,6-difluorophenyl)-5-(3-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587658
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
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanol
CID 22064141
2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 91386099
2-(2,6-dimethylphenyl)-5-(4-piperazin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 59587513
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-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane (CID 157365610) is 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane is C.NC(=O)c1nc(-c2c(F)cccc2F)oc1Nc1ccc(-c2cc(CO)on2)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane?
The InChIKey is BJDHOCPWYADWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O4.CH4/c21-13-2-1-3-14(22)16(13)19-25-17(18(23)28)20(29-19)24-11-6-4-10(5-7-11)15-8-12(9-27)30-26-15;/h1-8,24,27H,9H2,(H2,23,28);1H4.
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane?
2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane has a molecular weight of 428.40 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane is sourced from PubChem (CID 157365610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).