N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

C10H18N4O — CID 116806776

IUPACN-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(N2CCCC2)no1
InChIInChI=1S/C10H18N4O/c1-10(2,11-3)8-12-9(13-15-8)14-6-4-5-7-14/h11H,4-7H2,1-3H3
InChIKeyJPGUEQWSUPISFY-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.12
Rot. Bonds3

About N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine

N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (PubChem CID 116806776) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
PubChem CID116806776
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
SMILESCNC(C)(C)c1nc(N2CCCC2)no1
InChIInChI=1S/C10H18N4O/c1-10(2,11-3)8-12-9(13-15-8)14-6-4-5-7-14/h11H,4-7H2,1-3H3
InChIKeyJPGUEQWSUPISFY-UHFFFAOYSA-N
XLogP1.12
TPSA54.19 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116806716
2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116807451
(1S)-N-methyl-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 130563986
5-tert-butyl-3-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-1,2,4-oxadiazole
CID 75451947
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 63891484
N-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 116809152
5-tert-butyl-3-(4-propylpiperidin-1-yl)-1,2,4-oxadiazole
CID 143714152
2-methyl-1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 116807285
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 116809007
1-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 71272630
1-amino-1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116806822
1-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)ethanone
CID 116808785

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The IUPAC name of N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine (CID 116806776) is N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine.
What is the SMILES notation for N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The canonical SMILES for N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is CNC(C)(C)c1nc(N2CCCC2)no1.
What is the InChIKey of N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
The InChIKey is JPGUEQWSUPISFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-10(2,11-3)8-12-9(13-15-8)14-6-4-5-7-14/h11H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine?
N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine has a molecular weight of 210.28 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-amine is sourced from PubChem (CID 116806776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).