N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

C12H13F3N4O2 — CID 4768940

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)no1
InChIInChI=1S/C12H13F3N4O2/c1-6-4-9(12(13,14)15)17-19(6)8(3)11(20)16-10-5-7(2)21-18-10/h4-5,8H,1-3H3,(H,16,18,20)
InChIKeyGRJFMUXPZFYIKA-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.71
Rot. Bonds3

About N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 4768940) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID4768940
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCc1cc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)no1
InChIInChI=1S/C12H13F3N4O2/c1-6-4-9(12(13,14)15)17-19(6)8(3)11(20)16-10-5-7(2)21-18-10/h4-5,8H,1-3H3,(H,16,18,20)
InChIKeyGRJFMUXPZFYIKA-UHFFFAOYSA-N
XLogP2.71
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 4768940) is N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is Cc1cc(NC(=O)C(C)n2nc(C(F)(F)F)cc2C)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is GRJFMUXPZFYIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c1-6-4-9(12(13,14)15)17-19(6)8(3)11(20)16-10-5-7(2)21-18-10/h4-5,8H,1-3H3,(H,16,18,20).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 302.26 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 4768940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).