2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine

C13H23N3O — CID 115082387

IUPAC2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
SMILESCC(C)N1CCC(Cc2nc(CCN)co2)C1
InChIInChI=1S/C13H23N3O/c1-10(2)16-6-4-11(8-16)7-13-15-12(3-5-14)9-17-13/h9-11H,3-8,14H2,1-2H3
InChIKeyADKKQOVXOYKJSC-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.45
Rot. Bonds5

About 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine

2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine (PubChem CID 115082387) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
PubChem CID115082387
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
SMILESCC(C)N1CCC(Cc2nc(CCN)co2)C1
InChIInChI=1S/C13H23N3O/c1-10(2)16-6-4-11(8-16)7-13-15-12(3-5-14)9-17-13/h9-11H,3-8,14H2,1-2H3
InChIKeyADKKQOVXOYKJSC-UHFFFAOYSA-N
XLogP1.45
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine (CID 115082387) is 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine is CC(C)N1CCC(Cc2nc(CCN)co2)C1.
What is the InChIKey of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine?
The InChIKey is ADKKQOVXOYKJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)16-6-4-11(8-16)7-13-15-12(3-5-14)9-17-13/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine?
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115082387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).