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

C11H16N4O — CID 102811468

IUPAC2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCc1nn(C)cc1-c1cnc(CCN)o1
InChIInChI=1S/C11H16N4O/c1-3-9-8(7-15(2)14-9)10-6-13-11(16-10)4-5-12/h6-7H,3-5,12H2,1-2H3
InChIKeyYKWRBFVCMCHZNF-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.14
Rot. Bonds4

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

2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 102811468) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
PubChem CID102811468
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine
SMILESCCc1nn(C)cc1-c1cnc(CCN)o1
InChIInChI=1S/C11H16N4O/c1-3-9-8(7-15(2)14-9)10-6-13-11(16-10)4-5-12/h6-7H,3-5,12H2,1-2H3
InChIKeyYKWRBFVCMCHZNF-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine (CID 102811468) is 2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine is CCc1nn(C)cc1-c1cnc(CCN)o1.
What is the InChIKey of 2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is YKWRBFVCMCHZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-9-8(7-15(2)14-9)10-6-13-11(16-10)4-5-12/h6-7H,3-5,12H2,1-2H3.
What are the key properties of 2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-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-[5-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 102811468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).