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

C13H23N3O — CID 115083115

IUPAC1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
SMILESCC(N)c1coc(CC2CCCN2C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)16-6-4-5-11(16)7-13-15-12(8-17-13)10(3)14/h8-11H,4-7,14H2,1-3H3
InChIKeyFQHYWGBYZOVEET-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds4

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

1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine (PubChem CID 115083115) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
PubChem CID115083115
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine
SMILESCC(N)c1coc(CC2CCCN2C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)16-6-4-5-11(16)7-13-15-12(8-17-13)10(3)14/h8-11H,4-7,14H2,1-3H3
InChIKeyFQHYWGBYZOVEET-UHFFFAOYSA-N
XLogP2.11
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(piperidin-4-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115082506
1-[3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081147
1-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082501
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078118
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-1,2,4-oxadiazol-3-one
CID 115078289
5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2-oxazol-4-amine
CID 115093563
1-[2-(2-methylpropyl)-1,3-oxazol-4-yl]ethanamine
CID 115084208
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115078145
N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 115088688
(1-propan-2-ylpyrrolidin-2-yl)methanamine
CID 2762717
1-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-4-yl]ethanamine
CID 115082202
2-(1-propan-2-ylpyrrolidin-2-yl)ethanamine
CID 75089169

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of 1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine (CID 115083115) is 1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for 1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for 1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine is CC(N)c1coc(CC2CCCN2C(C)C)n1.
What is the InChIKey of 1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine?
The InChIKey is FQHYWGBYZOVEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)16-6-4-5-11(16)7-13-15-12(8-17-13)10(3)14/h8-11H,4-7,14H2,1-3H3.
What are the key properties of 1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine?
1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.11, 4 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-2-yl)methyl]-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115083115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).