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

C11H16N4O — CID 116642485

IUPAC2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
SMILESCCc1nn(C)cc1-c1cc(CCN)on1
InChIInChI=1S/C11H16N4O/c1-3-10-9(7-15(2)13-10)11-6-8(4-5-12)16-14-11/h6-7H,3-5,12H2,1-2H3
InChIKeyBTOIYWUNWJVPNU-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.14
Rot. Bonds4

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

2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine (PubChem CID 116642485) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
PubChem CID116642485
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
SMILESCCc1nn(C)cc1-c1cc(CCN)on1
InChIInChI=1S/C11H16N4O/c1-3-10-9(7-15(2)13-10)11-6-8(4-5-12)16-14-11/h6-7H,3-5,12H2,1-2H3
InChIKeyBTOIYWUNWJVPNU-UHFFFAOYSA-N
XLogP1.14
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]methanamine
CID 112671322
3-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]propan-1-ol
CID 113374651
2-[3-(1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine
CID 116642488
2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
CID 102811468
2-[3-(2,4-dimethylphenyl)-1,2-oxazol-5-yl]ethanamine
CID 116642504
3-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoroaniline
CID 104781283
5-(3-ethyl-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 102811182
[4-(3-ethyl-1-methylpyrazol-4-yl)thiophen-2-yl]methanamine
CID 66008902
4-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoroaniline
CID 66008493
[4-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorophenyl]methanamine
CID 81442406
4-(3-ethyl-1-methylpyrazol-4-yl)-2-methylaniline
CID 66008901
[2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methanamine
CID 66008084

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine (CID 116642485) is 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine is CCc1nn(C)cc1-c1cc(CCN)on1.
What is the InChIKey of 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine?
The InChIKey is BTOIYWUNWJVPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-10-9(7-15(2)13-10)11-6-8(4-5-12)16-14-11/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine?
2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethyl-1-methylpyrazol-4-yl)-1,2-oxazol-5-yl]ethanamine is sourced from PubChem (CID 116642485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).