N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide

C8H11FN2O2 — CID 126988241

IUPACN-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CF)NC(=O)c1ccon1
InChIInChI=1S/C8H11FN2O2/c1-8(2,5-9)10-7(12)6-3-4-13-11-6/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyBLLXKLLNZQPUJU-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.15
Rot. Bonds3

About N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide

N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide (PubChem CID 126988241) has the molecular formula C8H11FN2O2 and a molecular weight of 186.19 g/mol. Its IUPAC name is N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
PubChem CID126988241
Molecular FormulaC8H11FN2O2
Molecular Weight186.19 g/mol
Exact Mass186.08
IUPAC NameN-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(CF)NC(=O)c1ccon1
InChIInChI=1S/C8H11FN2O2/c1-8(2,5-9)10-7(12)6-3-4-13-11-6/h3-4H,5H2,1-2H3,(H,10,12)
InChIKeyBLLXKLLNZQPUJU-UHFFFAOYSA-N
XLogP1.15
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide (CID 126988241) is N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide is CC(C)(CF)NC(=O)c1ccon1.
What is the InChIKey of N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is BLLXKLLNZQPUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O2/c1-8(2,5-9)10-7(12)6-3-4-13-11-6/h3-4H,5H2,1-2H3,(H,10,12).
What are the key properties of N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide?
N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 186.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoro-2-methylpropan-2-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 126988241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).