3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine

C7H12N4O — CID 115079643

IUPAC3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine
SMILESCN1CCC(c2noc(N)n2)C1
InChIInChI=1S/C7H12N4O/c1-11-3-2-5(4-11)6-9-7(8)12-10-6/h5H,2-4H2,1H3,(H2,8,9,10)
InChIKeyMXKHIQVEBOVLSI-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.07
Rot. Bonds1

About 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine

3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine (PubChem CID 115079643) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine
PubChem CID115079643
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine
SMILESCN1CCC(c2noc(N)n2)C1
InChIInChI=1S/C7H12N4O/c1-11-3-2-5(4-11)6-9-7(8)12-10-6/h5H,2-4H2,1H3,(H2,8,9,10)
InChIKeyMXKHIQVEBOVLSI-UHFFFAOYSA-N
XLogP0.07
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-5-amine
CID 115079652
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-amine
CID 112680518
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
3-(thian-4-yl)-1,2,4-oxadiazol-5-amine
CID 115016917
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
N-methyl-2-[3-(1-methylpiperidin-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081354
4-methyl-5-(1-methylpiperidin-4-yl)-1,3-oxazol-2-amine
CID 116831783
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691
3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-amine
CID 115079719
N-methyl-4-(1-methylpyrrolidin-3-yl)-1,3-oxazol-2-amine
CID 116832572
[2-(1-methylpyrrolidin-3-yl)-1,3-oxazol-4-yl]methanamine
CID 115082061
4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115042933

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine (CID 115079643) is 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine is CN1CCC(c2noc(N)n2)C1.
What is the InChIKey of 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MXKHIQVEBOVLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-3-2-5(4-11)6-9-7(8)12-10-6/h5H,2-4H2,1H3,(H2,8,9,10).
What are the key properties of 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine?
3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine has a molecular weight of 168.20 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 115079643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).