2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

C10H8F2N2O2 — CID 67636387

IUPAC2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C10H8F2N2O2/c11-5-2-1-3-6(12)8(5)10-14-7(4-16-10)9(13)15/h1-3,7H,4H2,(H2,13,15)
InChIKeyRSGZBHNRIYGZPB-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.60
Rot. Bonds2

About 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide

2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (PubChem CID 67636387) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
PubChem CID67636387
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide
SMILESNC(=O)C1COC(c2c(F)cccc2F)=N1
InChIInChI=1S/C10H8F2N2O2/c11-5-2-1-3-6(12)8(5)10-14-7(4-16-10)9(13)15/h1-3,7H,4H2,(H2,13,15)
InChIKeyRSGZBHNRIYGZPB-UHFFFAOYSA-N
XLogP0.60
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide (CID 67636387) is 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is NC(=O)C1COC(c2c(F)cccc2F)=N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
The InChIKey is RSGZBHNRIYGZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c11-5-2-1-3-6(12)8(5)10-14-7(4-16-10)9(13)15/h1-3,7H,4H2,(H2,13,15).
What are the key properties of 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide?
2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide has a molecular weight of 226.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 67636387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).