N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine

C10H18N4O — CID 115079579

IUPACN,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCN(C)CCc1nc(C2CCNC2)no1
InChIInChI=1S/C10H18N4O/c1-14(2)6-4-9-12-10(13-15-9)8-3-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyDGVZYMKCEHQJIU-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.25
Rot. Bonds4

About N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine

N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 115079579) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID115079579
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCN(C)CCc1nc(C2CCNC2)no1
InChIInChI=1S/C10H18N4O/c1-14(2)6-4-9-12-10(13-15-9)8-3-5-11-7-8/h8,11H,3-7H2,1-2H3
InChIKeyDGVZYMKCEHQJIU-UHFFFAOYSA-N
XLogP0.25
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82399506
5-(ethoxymethyl)-3-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 129493408
N,N-dimethyl-2-[5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115345496
5-bromo-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115079645
5-methoxy-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 82652996
5-[(4-methylphenoxy)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 146064666
4-(3-piperidin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-ol
CID 79192890
3-cyclopropyl-5-[[(3S)-pyrrolidin-3-yl]methyl]-1,2,4-oxadiazole
CID 96753425
5-[(1-propan-2-ylpiperidin-2-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078370
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078562
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine (CID 115079579) is N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine is CN(C)CCc1nc(C2CCNC2)no1.
What is the InChIKey of N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is DGVZYMKCEHQJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-14(2)6-4-9-12-10(13-15-9)8-3-5-11-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine?
N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 210.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-pyrrolidin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 115079579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).