2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide

C16H12FN2O2P — CID 143993495

IUPAC2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2P)oc1-c1ccccc1
InChIInChI=1S/C16H12FN2O2P/c17-10-7-4-8-11(22)12(10)16-19-13(15(18)20)14(21-16)9-5-2-1-3-6-9/h1-8H,22H2,(H2,18,20)
InChIKeySCOAMGBBADIOFN-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.75
Rot. Bonds3

About 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide

2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 143993495) has the molecular formula C16H12FN2O2P and a molecular weight of 314.26 g/mol. Its IUPAC name is 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
PubChem CID143993495
Molecular FormulaC16H12FN2O2P
Molecular Weight314.26 g/mol
Exact Mass314.06
IUPAC Name2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nc(-c2c(F)cccc2P)oc1-c1ccccc1
InChIInChI=1S/C16H12FN2O2P/c17-10-7-4-8-11(22)12(10)16-19-13(15(18)20)14(21-16)9-5-2-1-3-6-9/h1-8H,22H2,(H2,18,20)
InChIKeySCOAMGBBADIOFN-UHFFFAOYSA-N
XLogP2.75
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2,6-difluorophenyl)-5-[4-(1-hydroxyethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 91386099
2-[4-(aminomethyl)phenyl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 174598172
2-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520217
2-(2,6-difluorophenyl)-5-[4-[2-(dimethylamino)ethoxy]phenyl]-1,3-oxazole-4-carboxamide
CID 59587395
2-(2,6-difluorophenyl)-5-[4-(2-morpholin-4-ylethylamino)phenyl]-1,3-oxazole-4-carboxamide
CID 68518780
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
ethyl 2-[4-(4-ethoxycarbonyl-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylate
CID 54770782
2-[5-carbamoyl-2-(5,5-difluorohexyl)triazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 67365572
2-(3-cyanophenyl)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 68520905
2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953761
2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 114560903
ethyl 2-(4-methylsulfanylphenyl)-5-phenyl-1,3-oxazole-4-carboxylate
CID 166154754

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide (CID 143993495) is 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide is NC(=O)c1nc(-c2c(F)cccc2P)oc1-c1ccccc1.
What is the InChIKey of 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is SCOAMGBBADIOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN2O2P/c17-10-7-4-8-11(22)12(10)16-19-13(15(18)20)14(21-16)9-5-2-1-3-6-9/h1-8H,22H2,(H2,18,20).
What are the key properties of 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide?
2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 314.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-phosphanylphenyl)-5-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 143993495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).