3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

C9H16N4O2 — CID 106743527

IUPAC3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCN(C)Cc1noc(C2(O)CCNC2)n1
InChIInChI=1S/C9H16N4O2/c1-13(2)5-7-11-8(15-12-7)9(14)3-4-10-6-9/h10,14H,3-6H2,1-2H3
InChIKeyOSHCYTMXVZOCOR-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.69
Rot. Bonds3

About 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol

3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (PubChem CID 106743527) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
PubChem CID106743527
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
SMILESCN(C)Cc1noc(C2(O)CCNC2)n1
InChIInChI=1S/C9H16N4O2/c1-13(2)5-7-11-8(15-12-7)9(14)3-4-10-6-9/h10,14H,3-6H2,1-2H3
InChIKeyOSHCYTMXVZOCOR-UHFFFAOYSA-N
XLogP-0.69
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol (CID 106743527) is 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is CN(C)Cc1noc(C2(O)CCNC2)n1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
The InChIKey is OSHCYTMXVZOCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-13(2)5-7-11-8(15-12-7)9(14)3-4-10-6-9/h10,14H,3-6H2,1-2H3.
What are the key properties of 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol?
3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol has a molecular weight of 212.25 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106743527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).