N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

C8H9F3N2O3 — CID 66727668

IUPACN-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCNC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c1-4-13-5(7(14)12-3-15-2)6(16-4)8(9,10)11/h3H2,1-2H3,(H,12,14)
InChIKeyWKTPUAHYTGUZPB-UHFFFAOYSA-N
MW238.16 g/mol
LogP1.34
Rot. Bonds3

About N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide

N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 66727668) has the molecular formula C8H9F3N2O3 and a molecular weight of 238.16 g/mol. Its IUPAC name is N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID66727668
Molecular FormulaC8H9F3N2O3
Molecular Weight238.16 g/mol
Exact Mass238.06
IUPAC NameN-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESCOCNC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C8H9F3N2O3/c1-4-13-5(7(14)12-3-15-2)6(16-4)8(9,10)11/h3H2,1-2H3,(H,12,14)
InChIKeyWKTPUAHYTGUZPB-UHFFFAOYSA-N
XLogP1.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 66727668) is N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is COCNC(=O)c1nc(C)oc1C(F)(F)F.
What is the InChIKey of N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is WKTPUAHYTGUZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O3/c1-4-13-5(7(14)12-3-15-2)6(16-4)8(9,10)11/h3H2,1-2H3,(H,12,14).
What are the key properties of N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 238.16 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methoxymethyl)-2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 66727668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).