2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide

C18H15F2N3O3 — CID 91386099

IUPAC2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(O)Nc1ccc(-c2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C18H15F2N3O3/c1-9(24)22-11-7-5-10(6-8-11)16-15(17(21)25)23-18(26-16)14-12(19)3-2-4-13(14)20/h2-9,22,24H,1H3,(H2,21,25)
InChIKeyZZEVDBGVNUVQPL-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.14
Rot. Bonds5

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

2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide (PubChem CID 91386099) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide
PubChem CID91386099
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Name2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide
SMILESCC(O)Nc1ccc(-c2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1
InChIInChI=1S/C18H15F2N3O3/c1-9(24)22-11-7-5-10(6-8-11)16-15(17(21)25)23-18(26-16)14-12(19)3-2-4-13(14)20/h2-9,22,24H,1H3,(H2,21,25)
InChIKeyZZEVDBGVNUVQPL-UHFFFAOYSA-N
XLogP3.14
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 143993495
2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 68518780
2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
CID 59587395
2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520217
2-(2,6-difluorophenyl)-5-[4-(dimethylsulfamoyl)anilino]-1,3-oxazole-4-carboxamide
CID 59587397
2-(2,6-difluorophenyl)-5-[4-[5-(hydroxymethyl)-1,2-oxazol-3-yl]anilino]-1,3-oxazole-4-carboxamide;methane
CID 157365610
2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 174598172
dimethyl 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953652
5-[(1,3-benzodioxol-5-ylamino)methyl]-2-(2,6-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 90813230
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
2-(2,6-difluorophenyl)-5-(2-fluoro-5-methylsulfonylanilino)-1,3-oxazole-4-carboxamide
CID 59587467
(2S)-N-(2,6-difluorophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25376034

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide (CID 91386099) is 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide is CC(O)Nc1ccc(-c2oc(-c3c(F)cccc3F)nc2C(N)=O)cc1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide?
The InChIKey is ZZEVDBGVNUVQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-9(24)22-11-7-5-10(6-8-11)16-15(17(21)25)23-18(26-16)14-12(19)3-2-4-13(14)20/h2-9,22,24H,1H3,(H2,21,25).
What are the key properties of 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide has a molecular weight of 359.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 91386099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).