N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide

C7H7F3N2O2 — CID 123247201

IUPACN-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cocn1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)1-2-11-6(13)5-3-14-4-12-5/h3-4H,1-2H2,(H,11,13)
InChIKeyGVJBEKBBWADDOJ-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.36
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide

N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide (PubChem CID 123247201) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide
PubChem CID123247201
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC NameN-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCCC(F)(F)F)c1cocn1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)1-2-11-6(13)5-3-14-4-12-5/h3-4H,1-2H2,(H,11,13)
InChIKeyGVJBEKBBWADDOJ-UHFFFAOYSA-N
XLogP1.36
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide (CID 123247201) is N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide is O=C(NCCC(F)(F)F)c1cocn1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is GVJBEKBBWADDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)1-2-11-6(13)5-3-14-4-12-5/h3-4H,1-2H2,(H,11,13).
What are the key properties of N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide?
N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 208.14 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 123247201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).