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

C12H18N4O — CID 66119659

IUPAC1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCc1cc(-c2cnc(C(C)N)o2)n(CC)n1
InChIInChI=1S/C12H18N4O/c1-4-9-6-10(16(5-2)15-9)11-7-14-12(17-11)8(3)13/h6-8H,4-5,13H2,1-3H3
InChIKeyMZRFZSDZZACWNV-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.14
Rot. Bonds4

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

1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 66119659) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID66119659
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCc1cc(-c2cnc(C(C)N)o2)n(CC)n1
InChIInChI=1S/C12H18N4O/c1-4-9-6-10(16(5-2)15-9)11-7-14-12(17-11)8(3)13/h6-8H,4-5,13H2,1-3H3
InChIKeyMZRFZSDZZACWNV-UHFFFAOYSA-N
XLogP2.14
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine (CID 66119659) is 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine is CCc1cc(-c2cnc(C(C)N)o2)n(CC)n1.
What is the InChIKey of 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is MZRFZSDZZACWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-9-6-10(16(5-2)15-9)11-7-14-12(17-11)8(3)13/h6-8H,4-5,13H2,1-3H3.
What are the key properties of 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 234.30 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-diethylpyrazol-5-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 66119659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).