[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine

C8H14N4O — CID 97297591

IUPAC[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCN1CCC[C@@H]1c1nnc(CN)o1
InChIInChI=1S/C8H14N4O/c1-12-4-2-3-6(12)8-11-10-7(5-9)13-8/h6H,2-5,9H2,1H3/t6-/m1/s1
InChIKeyHOBQPGAYJDDBHJ-ZCFIWIBFSA-N
MW182.23 g/mol
LogP0.29
Rot. Bonds2

About [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 97297591) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID97297591
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCN1CCC[C@@H]1c1nnc(CN)o1
InChIInChI=1S/C8H14N4O/c1-12-4-2-3-6(12)8-11-10-7(5-9)13-8/h6H,2-5,9H2,1H3/t6-/m1/s1
InChIKeyHOBQPGAYJDDBHJ-ZCFIWIBFSA-N
XLogP0.29
TPSA68.18 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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(1-methylpiperidin-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 71778178
[5-(1-methylpiperidin-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 71778174
[4-(1-methylpiperidin-2-yl)-1,3-oxazol-2-yl]methanamine
CID 115020308
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 115077784
4-(1-methylpyrrolidin-2-yl)-1,3-oxazol-2-amine
CID 115013289
[4-(1-methylpyrrolidin-2-yl)-3-pyridinyl]methanamine
CID 115018745
[5-(2-propan-2-ylpyrrolidin-1-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 106962603
6-(1-methylpiperidin-2-yl)pyridazin-3-amine
CID 117105860
[5-(1,1-dioxothian-4-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 115038282
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476

Frequently Asked Questions

What is the IUPAC name of [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine (CID 97297591) is [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine is CN1CCC[C@@H]1c1nnc(CN)o1.
What is the InChIKey of [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is HOBQPGAYJDDBHJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14N4O/c1-12-4-2-3-6(12)8-11-10-7(5-9)13-8/h6H,2-5,9H2,1H3/t6-/m1/s1.
What are the key properties of [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 182.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2R)-1-methylpyrrolidin-2-yl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 97297591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).