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

C7H12N4O — CID 115077784

IUPAC5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
SMILESCN1CCCC1c1nc(N)no1
InChIInChI=1S/C7H12N4O/c1-11-4-2-3-5(11)6-9-7(8)10-12-6/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyQMMSYFYMIZRLDP-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.42
Rot. Bonds1

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

5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine (PubChem CID 115077784) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
PubChem CID115077784
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
SMILESCN1CCCC1c1nc(N)no1
InChIInChI=1S/C7H12N4O/c1-11-4-2-3-5(11)6-9-7(8)10-12-6/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyQMMSYFYMIZRLDP-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077864
4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
CID 115013289
5-cyclopentyl-1,2,4-oxadiazol-3-amine
CID 53418487
3-(1-methylpiperidin-2-yl)-1,2-oxazol-5-amine
CID 115015914
4-methyl-6-(1-methylpyrrolidin-2-yl)pyrimidin-2-amine
CID 59551929
5-(1-methylpyrrolidin-2-yl)-3-[4-(2-pyridin-4-ylethynyl)phenyl]-1,2,4-oxadiazole
CID 71060918
[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine
CID 97297591
5-(1-methylazepan-2-yl)-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70709448
5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
CID 107182962
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl]-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 91921513

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine (CID 115077784) is 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine is CN1CCCC1c1nc(N)no1.
What is the InChIKey of 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine?
The InChIKey is QMMSYFYMIZRLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-11-4-2-3-5(11)6-9-7(8)10-12-6/h5H,2-4H2,1H3,(H2,8,10).
What are the key properties of 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine?
5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine has a molecular weight of 168.20 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 115077784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).