N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine

C8H14N4O — CID 75481049

IUPACN,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CCCN2)n1
InChIInChI=1S/C8H14N4O/c1-12(2)8-10-7(13-11-8)6-4-3-5-9-6/h6,9H,3-5H2,1-2H3
InChIKeyDHXLEVPVBKFTTR-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.56
Rot. Bonds2

About N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine

N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine (PubChem CID 75481049) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine
PubChem CID75481049
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(C2CCCN2)n1
InChIInChI=1S/C8H14N4O/c1-12(2)8-10-7(13-11-8)6-4-3-5-9-6/h6,9H,3-5H2,1-2H3
InChIKeyDHXLEVPVBKFTTR-UHFFFAOYSA-N
XLogP0.56
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine (CID 75481049) is N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(C2CCCN2)n1.
What is the InChIKey of N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine?
The InChIKey is DHXLEVPVBKFTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12(2)8-10-7(13-11-8)6-4-3-5-9-6/h6,9H,3-5H2,1-2H3.
What are the key properties of N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine?
N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine has a molecular weight of 182.23 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 75481049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).