1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol

C11H20N4O3 — CID 106967389

IUPAC1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
SMILESCC(C)CNCc1nnc(N2CC(O)C(O)C2)o1
InChIInChI=1S/C11H20N4O3/c1-7(2)3-12-4-10-13-14-11(18-10)15-5-8(16)9(17)6-15/h7-9,12,16-17H,3-6H2,1-2H3
InChIKeyLWSZTMGOMMAMNR-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.64
Rot. Bonds5

About 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol

1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol (PubChem CID 106967389) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
PubChem CID106967389
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol
SMILESCC(C)CNCc1nnc(N2CC(O)C(O)C2)o1
InChIInChI=1S/C11H20N4O3/c1-7(2)3-12-4-10-13-14-11(18-10)15-5-8(16)9(17)6-15/h7-9,12,16-17H,3-6H2,1-2H3
InChIKeyLWSZTMGOMMAMNR-UHFFFAOYSA-N
XLogP-0.64
TPSA94.65 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol (CID 106967389) is 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol is CC(C)CNCc1nnc(N2CC(O)C(O)C2)o1.
What is the InChIKey of 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol?
The InChIKey is LWSZTMGOMMAMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-7(2)3-12-4-10-13-14-11(18-10)15-5-8(16)9(17)6-15/h7-9,12,16-17H,3-6H2,1-2H3.
What are the key properties of 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol?
1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol has a molecular weight of 256.31 g/mol, XLogP of -0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-yl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106967389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).