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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Related Compounds

5-[[cyclohexyl(methyl)amino]methyl]-1,2-oxazol-3-amine
CID 117038942
N,1-dimethyl-N-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methyl]piperidin-3-amine
CID 62547704
N-[[3-[(tert-butylamino)methyl]-1,2-oxazol-5-yl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62547549
4-N-methyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclohexane-1,4-diamine
CID 79121827
N-[(3-amino-1H-pyrazol-5-yl)methyl]-N,1-dimethylpiperidin-3-amine
CID 117038718
N-[(2-amino-5-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79583035
N'-methyl-N'-(1-methylpyrrolidin-3-yl)methanediamine
CID 115225658
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820
N-[(3-amino-4-chlorophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 55084699
N-[(2-amino-4-bromophenyl)methyl]-N,1-dimethylpiperidin-3-amine
CID 79713286
5-[(N-methylanilino)methyl]-1,2-oxazol-3-amine
CID 117038114
N-[[3-(aminomethyl)-1,2-oxazol-5-yl]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62411963

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).