2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide

C11H8F2N2O2 — CID 118471832

IUPAC2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C11H8F2N2O2/c12-7-2-1-6(8(13)4-7)3-10-15-9(5-17-10)11(14)16/h1-2,4-5H,3H2,(H2,14,16)
InChIKeyCMWUWUIDGWLXST-UHFFFAOYSA-N
MW238.19 g/mol
LogP1.64
Rot. Bonds3

About 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide

2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 118471832) has the molecular formula C11H8F2N2O2 and a molecular weight of 238.19 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID118471832
Molecular FormulaC11H8F2N2O2
Molecular Weight238.19 g/mol
Exact Mass238.06
IUPAC Name2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1coc(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C11H8F2N2O2/c12-7-2-1-6(8(13)4-7)3-10-15-9(5-17-10)11(14)16/h1-2,4-5H,3H2,(H2,14,16)
InChIKeyCMWUWUIDGWLXST-UHFFFAOYSA-N
XLogP1.64
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 118471832) is 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide is NC(=O)c1coc(Cc2ccc(F)cc2F)n1.
What is the InChIKey of 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is CMWUWUIDGWLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N2O2/c12-7-2-1-6(8(13)4-7)3-10-15-9(5-17-10)11(14)16/h1-2,4-5H,3H2,(H2,14,16).
What are the key properties of 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 238.19 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118471832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).