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

C9H16N4O2 — CID 106960694

IUPAC1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol
SMILESCCNCc1nnc(N2CCC(O)C2)o1
InChIInChI=1S/C9H16N4O2/c1-2-10-5-8-11-12-9(15-8)13-4-3-7(14)6-13/h7,10,14H,2-6H2,1H3
InChIKeyDOZMAVLMGULFDP-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.25
Rot. Bonds4

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

1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol (PubChem CID 106960694) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol
PubChem CID106960694
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol
SMILESCCNCc1nnc(N2CCC(O)C2)o1
InChIInChI=1S/C9H16N4O2/c1-2-10-5-8-11-12-9(15-8)13-4-3-7(14)6-13/h7,10,14H,2-6H2,1H3
InChIKeyDOZMAVLMGULFDP-UHFFFAOYSA-N
XLogP-0.25
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol (CID 106960694) is 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol is CCNCc1nnc(N2CCC(O)C2)o1.
What is the InChIKey of 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol?
The InChIKey is DOZMAVLMGULFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-2-10-5-8-11-12-9(15-8)13-4-3-7(14)6-13/h7,10,14H,2-6H2,1H3.
What are the key properties of 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol?
1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol has a molecular weight of 212.25 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 106960694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).