5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine

C10H18N4O — CID 117038950

IUPAC5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine
SMILESCN1CCC(N(C)Cc2cc(N)no2)C1
InChIInChI=1S/C10H18N4O/c1-13-4-3-8(6-13)14(2)7-9-5-10(11)12-15-9/h5,8H,3-4,6-7H2,1-2H3,(H2,11,12)
InChIKeyUIQTYFJBJSKLQQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.39
Rot. Bonds3

About 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine

5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine (PubChem CID 117038950) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine
PubChem CID117038950
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine
SMILESCN1CCC(N(C)Cc2cc(N)no2)C1
InChIInChI=1S/C10H18N4O/c1-13-4-3-8(6-13)14(2)7-9-5-10(11)12-15-9/h5,8H,3-4,6-7H2,1-2H3,(H2,11,12)
InChIKeyUIQTYFJBJSKLQQ-UHFFFAOYSA-N
XLogP0.39
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine (CID 117038950) is 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine is CN1CCC(N(C)Cc2cc(N)no2)C1.
What is the InChIKey of 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine?
The InChIKey is UIQTYFJBJSKLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-13-4-3-8(6-13)14(2)7-9-5-10(11)12-15-9/h5,8H,3-4,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine?
5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine has a molecular weight of 210.28 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[methyl-(1-methylpyrrolidin-3-yl)amino]methyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117038950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).