N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide

C7H9FN2O3 — CID 130831795

IUPACN-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide
SMILESCC(CF)NC(=O)c1cc(=O)[nH]o1
InChIInChI=1S/C7H9FN2O3/c1-4(3-8)9-7(12)5-2-6(11)10-13-5/h2,4H,3H2,1H3,(H,9,12)(H,10,11)
InChIKeyUEXSJEODCKUKBP-UHFFFAOYSA-N
MW188.16 g/mol
LogP0.06
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide

N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide (PubChem CID 130831795) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide
PubChem CID130831795
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC NameN-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide
SMILESCC(CF)NC(=O)c1cc(=O)[nH]o1
InChIInChI=1S/C7H9FN2O3/c1-4(3-8)9-7(12)5-2-6(11)10-13-5/h2,4H,3H2,1H3,(H,9,12)(H,10,11)
InChIKeyUEXSJEODCKUKBP-UHFFFAOYSA-N
XLogP0.06
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide (CID 130831795) is N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide is CC(CF)NC(=O)c1cc(=O)[nH]o1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide?
The InChIKey is UEXSJEODCKUKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c1-4(3-8)9-7(12)5-2-6(11)10-13-5/h2,4H,3H2,1H3,(H,9,12)(H,10,11).
What are the key properties of N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide?
N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide has a molecular weight of 188.16 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-3-oxo-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 130831795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).