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

C12H21N3O — CID 120898715

IUPACN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCc1cc(CN(C)CC2(C)CCNC2)no1
InChIInChI=1S/C12H21N3O/c1-10-6-11(14-16-10)7-15(3)9-12(2)4-5-13-8-12/h6,13H,4-5,7-9H2,1-3H3
InChIKeyDTSXILXKGDLORS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds4

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

N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (PubChem CID 120898715) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
PubChem CID120898715
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
SMILESCc1cc(CN(C)CC2(C)CCNC2)no1
InChIInChI=1S/C12H21N3O/c1-10-6-11(14-16-10)7-15(3)9-12(2)4-5-13-8-12/h6,13H,4-5,7-9H2,1-3H3
InChIKeyDTSXILXKGDLORS-UHFFFAOYSA-N
XLogP1.41
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine (CID 120898715) is N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is Cc1cc(CN(C)CC2(C)CCNC2)no1.
What is the InChIKey of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
The InChIKey is DTSXILXKGDLORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-6-11(14-16-10)7-15(3)9-12(2)4-5-13-8-12/h6,13H,4-5,7-9H2,1-3H3.
What are the key properties of N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine?
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine is sourced from PubChem (CID 120898715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).