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

C10H17BrN2O2 — CID 62856522

IUPAC2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole
SMILESCCCOCCc1nnc(C(Br)CC)o1
InChIInChI=1S/C10H17BrN2O2/c1-3-6-14-7-5-9-12-13-10(15-9)8(11)4-2/h8H,3-7H2,1-2H3
InChIKeyQMYRMSPQRBXPOR-UHFFFAOYSA-N
MW277.16 g/mol
LogP2.88
Rot. Bonds7

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

2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole (PubChem CID 62856522) has the molecular formula C10H17BrN2O2 and a molecular weight of 277.16 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole
PubChem CID62856522
Molecular FormulaC10H17BrN2O2
Molecular Weight277.16 g/mol
Exact Mass276.05
IUPAC Name2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole
SMILESCCCOCCc1nnc(C(Br)CC)o1
InChIInChI=1S/C10H17BrN2O2/c1-3-6-14-7-5-9-12-13-10(15-9)8(11)4-2/h8H,3-7H2,1-2H3
InChIKeyQMYRMSPQRBXPOR-UHFFFAOYSA-N
XLogP2.88
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(2-propoxyethyl)-1,3,4-oxadiazol-2-amine
CID 62715106
2-methyl-N-[2-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-2-amine
CID 62716856
2-(1-bromopropyl)-5-(cycloheptylmethyl)-1,3,4-oxadiazole
CID 114457250
3-methyl-4-[5-(2-propoxyethyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 62965360
N-ethyl-1-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,4-oxadiazol-2-yl]ethanamine
CID 103212008
2-(1-bromopropyl)-5-(3-propoxyphenyl)-1,3,4-oxadiazole
CID 62919503
2-(1-bromopropyl)-5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazole
CID 55124583
2-(1-bromopropyl)-5-tert-butyl-1,3,4-oxadiazole
CID 62856380
2-(1-bromopropyl)-5-[(3-methylphenyl)methyl]-1,3,4-oxadiazole
CID 62856536
2-[chloro(phenyl)methyl]-5-(2-ethoxyethyl)-1,3,4-oxadiazole
CID 55091885
1-[5-(2-phenoxyethyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857431
2-(1-bromopropyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 62856196

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole (CID 62856522) is 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole is CCCOCCc1nnc(C(Br)CC)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole?
The InChIKey is QMYRMSPQRBXPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN2O2/c1-3-6-14-7-5-9-12-13-10(15-9)8(11)4-2/h8H,3-7H2,1-2H3.
What are the key properties of 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole has a molecular weight of 277.16 g/mol, XLogP of 2.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-(2-propoxyethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 62856522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).