4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide

C8H9F3N2O3 — CID 103750166

IUPAC4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c1-4-2-13-16-6(4)7(15)12-3-5(14)8(9,10)11/h2,5,14H,3H2,1H3,(H,12,15)
InChIKeyDLWALWURJKAQCI-UHFFFAOYSA-N
MW238.16 g/mol
LogP0.64
Rot. Bonds3

About 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide

4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide (PubChem CID 103750166) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide
PubChem CID103750166
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC Name4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide
SMILESCc1cnoc1C(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c1-4-2-13-16-6(4)7(15)12-3-5(14)8(9,10)11/h2,5,14H,3H2,1H3,(H,12,15)
InChIKeyDLWALWURJKAQCI-UHFFFAOYSA-N
XLogP0.64
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide (CID 103750166) is 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide is Cc1cnoc1C(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is DLWALWURJKAQCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-4-2-13-16-6(4)7(15)12-3-5(14)8(9,10)11/h2,5,14H,3H2,1H3,(H,12,15).
What are the key properties of 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide?
4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 238.16 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 103750166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).