5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide

C8H9F3N2O2 — CID 112527758

IUPAC5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCC(F)(F)F)o1
InChIInChI=1S/C8H9F3N2O2/c1-5-4-13-7(15-5)6(14)12-3-2-8(9,10)11/h4H,2-3H2,1H3,(H,12,14)
InChIKeyONARFPPWTLOSRH-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.67
Rot. Bonds3

About 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide

5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide (PubChem CID 112527758) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide
PubChem CID112527758
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide
SMILESCc1cnc(C(=O)NCCC(F)(F)F)o1
InChIInChI=1S/C8H9F3N2O2/c1-5-4-13-7(15-5)6(14)12-3-2-8(9,10)11/h4H,2-3H2,1H3,(H,12,14)
InChIKeyONARFPPWTLOSRH-UHFFFAOYSA-N
XLogP1.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide (CID 112527758) is 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide is Cc1cnc(C(=O)NCCC(F)(F)F)o1.
What is the InChIKey of 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide?
The InChIKey is ONARFPPWTLOSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c1-5-4-13-7(15-5)6(14)12-3-2-8(9,10)11/h4H,2-3H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide?
5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide has a molecular weight of 222.17 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3,3,3-trifluoropropyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 112527758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).