2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine

C9H12N4O — CID 116642488

IUPAC2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
SMILESCn1cc(-c2cc(CCN)on2)cn1
InChIInChI=1S/C9H12N4O/c1-13-6-7(5-11-13)9-4-8(2-3-10)14-12-9/h4-6H,2-3,10H2,1H3
InChIKeyBGZUMFFPAXDXRG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.58
Rot. Bonds3

About 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine

2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 116642488) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
PubChem CID116642488
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
SMILESCn1cc(-c2cc(CCN)on2)cn1
InChIInChI=1S/C9H12N4O/c1-13-6-7(5-11-13)9-4-8(2-3-10)14-12-9/h4-6H,2-3,10H2,1H3
InChIKeyBGZUMFFPAXDXRG-UHFFFAOYSA-N
XLogP0.58
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine (CID 116642488) is 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine is Cn1cc(-c2cc(CCN)on2)cn1.
What is the InChIKey of 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is BGZUMFFPAXDXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-13-6-7(5-11-13)9-4-8(2-3-10)14-12-9/h4-6H,2-3,10H2,1H3.
What are the key properties of 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine?
2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 192.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 116642488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).