N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide

C14H14N6O2 — CID 678431

IUPACN-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C14H14N6O2/c1-9-8-12(20(17-9)11-6-4-3-5-7-11)16-14-13(15-10(2)21)18-22-19-14/h3-8H,1-2H3,(H,16,19)(H,15,18,21)
InChIKeyRMGJWEWYXFKPTH-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.27
Rot. Bonds4

About N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide

N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 678431) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID678431
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC NameN-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1Nc1cc(C)nn1-c1ccccc1
InChIInChI=1S/C14H14N6O2/c1-9-8-12(20(17-9)11-6-4-3-5-7-11)16-14-13(15-10(2)21)18-22-19-14/h3-8H,1-2H3,(H,16,19)(H,15,18,21)
InChIKeyRMGJWEWYXFKPTH-UHFFFAOYSA-N
XLogP2.27
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide (CID 678431) is N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1Nc1cc(C)nn1-c1ccccc1.
What is the InChIKey of N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is RMGJWEWYXFKPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-9-8-12(20(17-9)11-6-4-3-5-7-11)16-14-13(15-10(2)21)18-22-19-14/h3-8H,1-2H3,(H,16,19)(H,15,18,21).
What are the key properties of N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 298.31 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-2-phenylpyrazol-3-yl)amino]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 678431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).