[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone

C11H14N4O2 — CID 112528460

IUPAC[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone
SMILESCc1cnc(C(=O)n2nc(C)c(CN)c2C)o1
InChIInChI=1S/C11H14N4O2/c1-6-5-13-10(17-6)11(16)15-8(3)9(4-12)7(2)14-15/h5H,4,12H2,1-3H3
InChIKeyMZIZWMAMOXYTNE-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.94
Rot. Bonds2

About [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone

[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone (PubChem CID 112528460) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone
PubChem CID112528460
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone
SMILESCc1cnc(C(=O)n2nc(C)c(CN)c2C)o1
InChIInChI=1S/C11H14N4O2/c1-6-5-13-10(17-6)11(16)15-8(3)9(4-12)7(2)14-15/h5H,4,12H2,1-3H3
InChIKeyMZIZWMAMOXYTNE-UHFFFAOYSA-N
XLogP0.94
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone (CID 112528460) is [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone is Cc1cnc(C(=O)n2nc(C)c(CN)c2C)o1.
What is the InChIKey of [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone?
The InChIKey is MZIZWMAMOXYTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-5-13-10(17-6)11(16)15-8(3)9(4-12)7(2)14-15/h5H,4,12H2,1-3H3.
What are the key properties of [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone?
[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone has a molecular weight of 234.26 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-(5-methyl-1,3-oxazol-2-yl)methanone is sourced from PubChem (CID 112528460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).