N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine

C9H16N4O — CID 83831221

IUPACN,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(N(C)CC2CCCN2)n1
InChIInChI=1S/C9H16N4O/c1-7-11-9(14-12-7)13(2)6-8-4-3-5-10-8/h8,10H,3-6H2,1-2H3
InChIKeyGVQPKQLLDWPVTC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.57
Rot. Bonds3

About N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine

N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 83831221) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID83831221
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(N(C)CC2CCCN2)n1
InChIInChI=1S/C9H16N4O/c1-7-11-9(14-12-7)13(2)6-8-4-3-5-10-8/h8,10H,3-6H2,1-2H3
InChIKeyGVQPKQLLDWPVTC-UHFFFAOYSA-N
XLogP0.57
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-methyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 106660193
N,4,6-trimethyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641961
N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641999
N,7-dimethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 115208180
N-methyl-N-(piperidin-2-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 106635602
N,3-dimethyl-N-(piperidin-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 106641932
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-pyrrolidin-2-ylmethanesulfonamide
CID 106419937
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,3-benzodioxol-5-amine
CID 115208211
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
5-iodo-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 106618723
5-fluoro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 71641981
4-fluoro-N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]aniline
CID 94333109

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine (CID 83831221) is N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine is Cc1noc(N(C)CC2CCCN2)n1.
What is the InChIKey of N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is GVQPKQLLDWPVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7-11-9(14-12-7)13(2)6-8-4-3-5-10-8/h8,10H,3-6H2,1-2H3.
What are the key properties of N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine?
N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 196.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 83831221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).