4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid

C15H14F2N2O4 — CID 122108482

IUPAC4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)c1coc(-c2c(F)cccc2F)n1)CC(=O)O
InChIInChI=1S/C15H14F2N2O4/c1-8(5-12(20)21)6-18-14(22)11-7-23-15(19-11)13-9(16)3-2-4-10(13)17/h2-4,7-8H,5-6H2,1H3,(H,18,22)(H,20,21)
InChIKeyCWYKIKCAQKMACP-UHFFFAOYSA-N
MW324.28 g/mol
LogP2.46
Rot. Bonds6

About 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid

4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid (PubChem CID 122108482) has the molecular formula C15H14F2N2O4 and a molecular weight of 324.28 g/mol. Its IUPAC name is 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid
PubChem CID122108482
Molecular FormulaC15H14F2N2O4
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid
SMILESCC(CNC(=O)c1coc(-c2c(F)cccc2F)n1)CC(=O)O
InChIInChI=1S/C15H14F2N2O4/c1-8(5-12(20)21)6-18-14(22)11-7-23-15(19-11)13-9(16)3-2-4-10(13)17/h2-4,7-8H,5-6H2,1H3,(H,18,22)(H,20,21)
InChIKeyCWYKIKCAQKMACP-UHFFFAOYSA-N
XLogP2.46
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid?
The IUPAC name of 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid (CID 122108482) is 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid is CC(CNC(=O)c1coc(-c2c(F)cccc2F)n1)CC(=O)O.
What is the InChIKey of 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid?
The InChIKey is CWYKIKCAQKMACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O4/c1-8(5-12(20)21)6-18-14(22)11-7-23-15(19-11)13-9(16)3-2-4-10(13)17/h2-4,7-8H,5-6H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid?
4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid has a molecular weight of 324.28 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,6-difluorophenyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 122108482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).