N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine

C9H15N3O — CID 116832572

IUPACN-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine
SMILESCNc1nc(C2CCN(C)C2)co1
InChIInChI=1S/C9H15N3O/c1-10-9-11-8(6-13-9)7-3-4-12(2)5-7/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyJFLIRUXCYDRGKQ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.14
Rot. Bonds2

About N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine

N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine (PubChem CID 116832572) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine
PubChem CID116832572
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine
SMILESCNc1nc(C2CCN(C)C2)co1
InChIInChI=1S/C9H15N3O/c1-10-9-11-8(6-13-9)7-3-4-12(2)5-7/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyJFLIRUXCYDRGKQ-UHFFFAOYSA-N
XLogP1.14
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-yl]ethanamine
CID 115020306
2-bromo-4-(1-methylpiperidin-3-yl)-1,3-oxazole
CID 115045488
N,4-dimethyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-amine
CID 116894677
2-bromo-4-(1-methylpiperidin-4-yl)-1,3-oxazole
CID 115045486
3-iodo-2-methyl-6-(1-methylpyrrolidin-3-yl)pyridine
CID 170207510
[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
CID 115082061
3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine
CID 115079643
N,4-dimethyl-5-(1-methylpiperidin-3-yl)-1,3-oxazol-2-amine
CID 116832284
1-[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]ethanol
CID 115081999
1-[4-methyl-6-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]ethanone
CID 116895403
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
3-(1-methylpyrrolidin-3-yl)pyridazine
CID 117105038

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine (CID 116832572) is N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine is CNc1nc(C2CCN(C)C2)co1.
What is the InChIKey of N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine?
The InChIKey is JFLIRUXCYDRGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-10-9-11-8(6-13-9)7-3-4-12(2)5-7/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine?
N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 116832572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).