2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide

C9H16BrN3O — CID 66686246

IUPAC2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide
SMILESBr.CC(C)c1nnc(C2CCNC2)o1
InChIInChI=1S/C9H15N3O.BrH/c1-6(2)8-11-12-9(13-8)7-3-4-10-5-7;/h6-7,10H,3-5H2,1-2H3;1H
InChIKeyWKTSAZTZSUSJDW-UHFFFAOYSA-N
MW262.15 g/mol
LogP1.85
Rot. Bonds2

About 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide

2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide (PubChem CID 66686246) has the molecular formula C9H16BrN3O and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide.

Molecular Properties

Compound Name2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide
PubChem CID66686246
Molecular FormulaC9H16BrN3O
Molecular Weight262.15 g/mol
Exact Mass261.05
IUPAC Name2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide
SMILESBr.CC(C)c1nnc(C2CCNC2)o1
InChIInChI=1S/C9H15N3O.BrH/c1-6(2)8-11-12-9(13-8)7-3-4-10-5-7;/h6-7,10H,3-5H2,1-2H3;1H
InChIKeyWKTSAZTZSUSJDW-UHFFFAOYSA-N
XLogP1.85
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide?
The IUPAC name of 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide (CID 66686246) is 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide.
What is the SMILES notation for 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide?
The canonical SMILES for 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide is Br.CC(C)c1nnc(C2CCNC2)o1.
What is the InChIKey of 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide?
The InChIKey is WKTSAZTZSUSJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.BrH/c1-6(2)8-11-12-9(13-8)7-3-4-10-5-7;/h6-7,10H,3-5H2,1-2H3;1H.
What are the key properties of 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide?
2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide has a molecular weight of 262.15 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-pyrrolidin-3-yl-1,3,4-oxadiazole;hydrobromide is sourced from PubChem (CID 66686246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).