2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole

C6H7BrN2O — CID 115022759

IUPAC2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole
SMILESCC1(c2nnc(Br)o2)CC1
InChIInChI=1S/C6H7BrN2O/c1-6(2-3-6)4-8-9-5(7)10-4/h2-3H2,1H3
InChIKeyKKPOQSVRZUFGMM-UHFFFAOYSA-N
MW203.04 g/mol
LogP1.88
Rot. Bonds1

About 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole

2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole (PubChem CID 115022759) has the molecular formula C6H7BrN2O and a molecular weight of 203.04 g/mol. Its IUPAC name is 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole
PubChem CID115022759
Molecular FormulaC6H7BrN2O
Molecular Weight203.04 g/mol
Exact Mass201.97
IUPAC Name2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole
SMILESCC1(c2nnc(Br)o2)CC1
InChIInChI=1S/C6H7BrN2O/c1-6(2-3-6)4-8-9-5(7)10-4/h2-3H2,1H3
InChIKeyKKPOQSVRZUFGMM-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.04
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole (CID 115022759) is 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole is CC1(c2nnc(Br)o2)CC1.
What is the InChIKey of 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole?
The InChIKey is KKPOQSVRZUFGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O/c1-6(2-3-6)4-8-9-5(7)10-4/h2-3H2,1H3.
What are the key properties of 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole?
2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole has a molecular weight of 203.04 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1-methylcyclopropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 115022759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).