2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole

C10H15BrN2O — CID 107000560

IUPAC2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2CC2(C)C)o1
InChIInChI=1S/C10H15BrN2O/c1-4-7(11)9-13-12-8(14-9)6-5-10(6,2)3/h6-7H,4-5H2,1-3H3
InChIKeyYCLVKGMNDQWOFZ-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.43
Rot. Bonds3

About 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole

2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole (PubChem CID 107000560) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole
PubChem CID107000560
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2CC2(C)C)o1
InChIInChI=1S/C10H15BrN2O/c1-4-7(11)9-13-12-8(14-9)6-5-10(6,2)3/h6-7H,4-5H2,1-3H3
InChIKeyYCLVKGMNDQWOFZ-UHFFFAOYSA-N
XLogP3.43
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(1-Bromopropyl)-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 62855095
2-(1-Bromopropyl)-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole
CID 62855245
2-(1-Bromopropyl)-5-butyl-1,3,4-oxadiazole
CID 62855246
2-(1-Bromopropyl)-5-cyclobutyl-1,3,4-oxadiazole
CID 62855262
2-(1-Bromopropyl)-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 62855269
2-(1-Bromopropyl)-5-pentan-2-yl-1,3,4-oxadiazole
CID 62855423
2-(1-Bromopropyl)-5-cyclopropyl-1,3,4-oxadiazole
CID 62856366
2-(1-Bromopropyl)-5-(2-methylbutan-2-yl)-1,3,4-oxadiazole
CID 62856525
2-(1-Bromopropyl)-5-(cyclopropylmethyl)-1,3,4-oxadiazole
CID 62856543
2-(1-Bromopropyl)-5-(2,3,3-trimethylbutyl)-1,3,4-oxadiazole
CID 63832163
2-(1-Bromopropyl)-5-(3-methylbutan-2-yl)-1,3,4-oxadiazole
CID 64033206
2-(1-Bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole
CID 66476470

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole (CID 107000560) is 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole is CCC(Br)c1nnc(C2CC2(C)C)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole?
The InChIKey is YCLVKGMNDQWOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-4-7(11)9-13-12-8(14-9)6-5-10(6,2)3/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole has a molecular weight of 259.15 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 107000560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).