N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine

C16H29N3O — CID 131949485

IUPACN-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine
SMILESCC(C)c1cc(CN(C)CC2CCN(C)C2(C)C)no1
InChIInChI=1S/C16H29N3O/c1-12(2)15-9-14(17-20-15)11-18(5)10-13-7-8-19(6)16(13,3)4/h9,12-13H,7-8,10-11H2,1-6H3
InChIKeyJCHHELQLELBPSH-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.96
Rot. Bonds5

About N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine

N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine (PubChem CID 131949485) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine
PubChem CID131949485
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine
SMILESCC(C)c1cc(CN(C)CC2CCN(C)C2(C)C)no1
InChIInChI=1S/C16H29N3O/c1-12(2)15-9-14(17-20-15)11-18(5)10-13-7-8-19(6)16(13,3)4/h9,12-13H,7-8,10-11H2,1-6H3
InChIKeyJCHHELQLELBPSH-UHFFFAOYSA-N
XLogP2.96
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine (CID 131949485) is N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine is CC(C)c1cc(CN(C)CC2CCN(C)C2(C)C)no1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine?
The InChIKey is JCHHELQLELBPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)15-9-14(17-20-15)11-18(5)10-13-7-8-19(6)16(13,3)4/h9,12-13H,7-8,10-11H2,1-6H3.
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine?
N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine has a molecular weight of 279.43 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-1-(1,2,2-trimethylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 131949485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).