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

C13H23N3O — CID 115082822

IUPACN-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine
SMILESCNC(C)c1coc(C2CCCN2C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)16-7-5-6-12(16)13-15-11(8-17-13)10(3)14-4/h8-10,12,14H,5-7H2,1-4H3
InChIKeyVHFRZZPDOFKPPJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.50
Rot. Bonds4

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

N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine (PubChem CID 115082822) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine
PubChem CID115082822
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine
SMILESCNC(C)c1coc(C2CCCN2C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-9(2)16-7-5-6-12(16)13-15-11(8-17-13)10(3)14-4/h8-10,12,14H,5-7H2,1-4H3
InChIKeyVHFRZZPDOFKPPJ-UHFFFAOYSA-N
XLogP2.50
TPSA41.30 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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine (CID 115082822) is N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine is CNC(C)c1coc(C2CCCN2C(C)C)n1.
What is the InChIKey of N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine?
The InChIKey is VHFRZZPDOFKPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)16-7-5-6-12(16)13-15-11(8-17-13)10(3)14-4/h8-10,12,14H,5-7H2,1-4H3.
What are the key properties of N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine?
N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-propan-2-ylpyrrolidin-2-yl)-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115082822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).