[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine

C11H19N3O — CID 115084985

IUPAC[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
SMILESCC(C)N1CCC(c2ncc(CN)o2)C1
InChIInChI=1S/C11H19N3O/c1-8(2)14-4-3-9(7-14)11-13-6-10(5-12)15-11/h6,8-9H,3-5,7,12H2,1-2H3
InChIKeyNNHLUICMSGUSNA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds3

About [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine

[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine (PubChem CID 115084985) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
PubChem CID115084985
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
SMILESCC(C)N1CCC(c2ncc(CN)o2)C1
InChIInChI=1S/C11H19N3O/c1-8(2)14-4-3-9(7-14)11-13-6-10(5-12)15-11/h6,8-9H,3-5,7,12H2,1-2H3
InChIKeyNNHLUICMSGUSNA-UHFFFAOYSA-N
XLogP1.33
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084987
N-methyl-1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115085597
2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085113
N-methyl-2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085620
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115089816
5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117258855
[2-(1-ethylpyrrolidin-2-yl)-1,3-oxazol-5-yl]methanamine
CID 115085726
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085155
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-5-yl]propan-2-amine
CID 115085018
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115085086
2-cyclopropyl-5-ethyl-1,3-oxazole
CID 146588546
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756

Frequently Asked Questions

What is the IUPAC name of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine (CID 115084985) is [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine is CC(C)N1CCC(c2ncc(CN)o2)C1.
What is the InChIKey of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine?
The InChIKey is NNHLUICMSGUSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14-4-3-9(7-14)11-13-6-10(5-12)15-11/h6,8-9H,3-5,7,12H2,1-2H3.
What are the key properties of [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine?
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 115084985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).