N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine

C10H18N4O — CID 104900916

IUPACN,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C10H18N4O/c1-3-14(4-2)10-12-9(15-13-10)8-6-5-7-11-8/h8,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyQGZBLKAWCKSHCI-QMMMGPOBSA-N
MW210.28 g/mol
LogP1.34
Rot. Bonds4

About N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine

N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine (PubChem CID 104900916) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine
PubChem CID104900916
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine
SMILESCCN(CC)c1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C10H18N4O/c1-3-14(4-2)10-12-9(15-13-10)8-6-5-7-11-8/h8,11H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyQGZBLKAWCKSHCI-QMMMGPOBSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
CID 116806371
5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808240
5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 114239831
3-(ethoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915006
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116806191
N-butan-2-yl-N-ethyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 102742116
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
3-(methylsulfanylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94552140
3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine?
The IUPAC name of N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine (CID 104900916) is N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine is CCN(CC)c1noc([C@@H]2CCCN2)n1.
What is the InChIKey of N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine?
The InChIKey is QGZBLKAWCKSHCI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-14(4-2)10-12-9(15-13-10)8-6-5-7-11-8/h8,11H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine?
N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine has a molecular weight of 210.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 104900916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).