5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide

C9H9F2N5O2 — CID 167881783

IUPAC5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2cn(C)nn2)noc1C(F)F
InChIInChI=1S/C9H9F2N5O2/c1-12-9(17)5-6(4-3-16(2)15-13-4)14-18-7(5)8(10)11/h3,8H,1-2H3,(H,12,17)
InChIKeyAOYQZXAMGMMBRM-UHFFFAOYSA-N
MW257.20 g/mol
LogP0.77
Rot. Bonds3

About 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide

5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide (PubChem CID 167881783) has the molecular formula C9H9F2N5O2 and a molecular weight of 257.20 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide
PubChem CID167881783
Molecular FormulaC9H9F2N5O2
Molecular Weight257.20 g/mol
Exact Mass257.07
IUPAC Name5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide
SMILESCNC(=O)c1c(-c2cn(C)nn2)noc1C(F)F
InChIInChI=1S/C9H9F2N5O2/c1-12-9(17)5-6(4-3-16(2)15-13-4)14-18-7(5)8(10)11/h3,8H,1-2H3,(H,12,17)
InChIKeyAOYQZXAMGMMBRM-UHFFFAOYSA-N
XLogP0.77
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide (CID 167881783) is 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide is CNC(=O)c1c(-c2cn(C)nn2)noc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is AOYQZXAMGMMBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N5O2/c1-12-9(17)5-6(4-3-16(2)15-13-4)14-18-7(5)8(10)11/h3,8H,1-2H3,(H,12,17).
What are the key properties of 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide?
5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 257.20 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-methyl-3-(1-methyltriazol-4-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167881783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).