1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine

C8H14N4O — CID 106402279

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCc2ncon2)C1
InChIInChI=1S/C8H14N4O/c9-7-1-3-12(5-7)4-2-8-10-6-13-11-8/h6-7H,1-5,9H2
InChIKeySVSGCPQAPWIFQK-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.35
Rot. Bonds3

About 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine (PubChem CID 106402279) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine
PubChem CID106402279
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine
SMILESNC1CCN(CCc2ncon2)C1
InChIInChI=1S/C8H14N4O/c9-7-1-3-12(5-7)4-2-8-10-6-13-11-8/h6-7H,1-5,9H2
InChIKeySVSGCPQAPWIFQK-UHFFFAOYSA-N
XLogP-0.35
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-yl)ethyl]-1,2,4-oxadiazole
CID 106408893
3-[2-(3-cyclopropyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185214
3-[2-(3-butan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185223
1-(2-phenylethyl)pyrrolidin-3-amine
CID 18411819
3-[2-(3-cyclopropyl-3-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 114185224
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]pyrrolidin-3-amine
CID 43315124
3-[2-(3-ethyl-3-methyl-1,4-diazepan-1-yl)ethyl]-1,2,4-oxadiazole
CID 106408926
N-methyl-1-[1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-4-yl]methanamine
CID 63249054
4-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106408264
(3S,4R)-1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-3,4-diol
CID 115278433
(3S)-1-[2-(4-tert-butylphenyl)ethyl]pyrrolidin-3-amine
CID 94769640
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine (CID 106402279) is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine is NC1CCN(CCc2ncon2)C1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is SVSGCPQAPWIFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-7-1-3-12(5-7)4-2-8-10-6-13-11-8/h6-7H,1-5,9H2.
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine?
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 182.23 g/mol, XLogP of -0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 106402279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).