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

C12H21N3O — CID 115084987

IUPAC1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCN(C(C)C)C2)o1
InChIInChI=1S/C12H21N3O/c1-8(2)15-5-4-10(7-15)12-14-6-11(16-12)9(3)13/h6,8-10H,4-5,7,13H2,1-3H3
InChIKeyXRBFKABXNOEIEZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.89
Rot. Bonds3

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

1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine (PubChem CID 115084987) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
PubChem CID115084987
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine
SMILESCC(N)c1cnc(C2CCN(C(C)C)C2)o1
InChIInChI=1S/C12H21N3O/c1-8(2)15-5-4-10(7-15)12-14-6-11(16-12)9(3)13/h6,8-10H,4-5,7,13H2,1-3H3
InChIKeyXRBFKABXNOEIEZ-UHFFFAOYSA-N
XLogP1.89
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115084985
2-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085113
5-chloro-2-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117258855
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089818
N-methyl-1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-oxazol-5-yl]methanamine
CID 115085597
1-[2-(1,1-dioxothiolan-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115084978
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
1-[2-(1,1-dioxothian-3-yl)-1,3-oxazol-5-yl]ethanamine
CID 115085576
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756
2-chloro-1-methyl-5-(1-propan-2-ylpyrrolidin-3-yl)imidazole
CID 117259825
2-chloro-5-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazole
CID 117259550

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine?
The IUPAC name of 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine (CID 115084987) is 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine is CC(N)c1cnc(C2CCN(C(C)C)C2)o1.
What is the InChIKey of 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine?
The InChIKey is XRBFKABXNOEIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)15-5-4-10(7-15)12-14-6-11(16-12)9(3)13/h6,8-10H,4-5,7,13H2,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine?
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-oxazol-5-yl]ethanamine is sourced from PubChem (CID 115084987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).