4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide

C7H7F3N2O2 — CID 140563195

IUPAC4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H](c1conc1C(N)=O)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-3(7(8,9)10)4-2-14-12-5(4)6(11)13/h2-3H,1H3,(H2,11,13)/t3-/m0/s1
InChIKeyHKYMAKWBCLJBOP-VKHMYHEASA-N
MW208.14 g/mol
LogP1.44
Rot. Bonds2

About 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide

4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 140563195) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID140563195
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESC[C@@H](c1conc1C(N)=O)C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-3(7(8,9)10)4-2-14-12-5(4)6(11)13/h2-3H,1H3,(H2,11,13)/t3-/m0/s1
InChIKeyHKYMAKWBCLJBOP-VKHMYHEASA-N
XLogP1.44
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide (CID 140563195) is 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide is C[C@@H](c1conc1C(N)=O)C(F)(F)F.
What is the InChIKey of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is HKYMAKWBCLJBOP-VKHMYHEASA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-3(7(8,9)10)4-2-14-12-5(4)6(11)13/h2-3H,1H3,(H2,11,13)/t3-/m0/s1.
What are the key properties of 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide?
4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 140563195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).