N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C12H10F3N5O2 — CID 126841518

IUPACN-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1nc(C#N)c(NC(=O)Cn2nc(C(F)(F)F)cc2C)o1
InChIInChI=1S/C12H10F3N5O2/c1-6-3-9(12(13,14)15)19-20(6)5-10(21)18-11-8(4-16)17-7(2)22-11/h3H,5H2,1-2H3,(H,18,21)
InChIKeyFOFGAPOZEQZVLE-UHFFFAOYSA-N
MW313.24 g/mol
LogP2.02
Rot. Bonds3

About N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 126841518) has the molecular formula C12H10F3N5O2 and a molecular weight of 313.24 g/mol. Its IUPAC name is N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID126841518
Molecular FormulaC12H10F3N5O2
Molecular Weight313.24 g/mol
Exact Mass313.08
IUPAC NameN-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1nc(C#N)c(NC(=O)Cn2nc(C(F)(F)F)cc2C)o1
InChIInChI=1S/C12H10F3N5O2/c1-6-3-9(12(13,14)15)19-20(6)5-10(21)18-11-8(4-16)17-7(2)22-11/h3H,5H2,1-2H3,(H,18,21)
InChIKeyFOFGAPOZEQZVLE-UHFFFAOYSA-N
XLogP2.02
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 126841518) is N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1nc(C#N)c(NC(=O)Cn2nc(C(F)(F)F)cc2C)o1.
What is the InChIKey of N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is FOFGAPOZEQZVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N5O2/c1-6-3-9(12(13,14)15)19-20(6)5-10(21)18-11-8(4-16)17-7(2)22-11/h3H,5H2,1-2H3,(H,18,21).
What are the key properties of N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 313.24 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methyl-1,3-oxazol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 126841518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).