2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid

C13H19FN2O4 — CID 167213818

IUPAC2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(C(C)(C)F)on1)C(=O)O
InChIInChI=1S/C13H19FN2O4/c1-7(2)5-9(12(18)19)15-11(17)8-6-10(20-16-8)13(3,4)14/h6-7,9H,5H2,1-4H3,(H,15,17)(H,18,19)
InChIKeySNHIFRUTKYDZQV-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.11
Rot. Bonds6

About 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid

2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (PubChem CID 167213818) has the molecular formula C13H19FN2O4 and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
PubChem CID167213818
Molecular FormulaC13H19FN2O4
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid
SMILESCC(C)CC(NC(=O)c1cc(C(C)(C)F)on1)C(=O)O
InChIInChI=1S/C13H19FN2O4/c1-7(2)5-9(12(18)19)15-11(17)8-6-10(20-16-8)13(3,4)14/h6-7,9H,5H2,1-4H3,(H,15,17)(H,18,19)
InChIKeySNHIFRUTKYDZQV-UHFFFAOYSA-N
XLogP2.11
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid (CID 167213818) is 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is CC(C)CC(NC(=O)c1cc(C(C)(C)F)on1)C(=O)O.
What is the InChIKey of 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
The InChIKey is SNHIFRUTKYDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4/c1-7(2)5-9(12(18)19)15-11(17)8-6-10(20-16-8)13(3,4)14/h6-7,9H,5H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid?
2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid has a molecular weight of 286.30 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-fluoropropan-2-yl)-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 167213818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).