5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole

C12H11BrN2O2 — CID 60773437

IUPAC5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESBrc1ccc(OCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C12H11BrN2O2/c13-9-3-5-10(6-4-9)16-7-11-14-12(15-17-11)8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyBISDQZDWRYVVRX-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.29
Rot. Bonds4

About 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole

5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 60773437) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID60773437
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESBrc1ccc(OCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C12H11BrN2O2/c13-9-3-5-10(6-4-9)16-7-11-14-12(15-17-11)8-1-2-8/h3-6,8H,1-2,7H2
InChIKeyBISDQZDWRYVVRX-UHFFFAOYSA-N
XLogP3.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-ol
CID 75499143
5-[(5-bromo-2-methylphenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 107284094
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495910
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61495920
5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 82705989
3-cyclopropyl-5-[[4-[(1-methylpyrazol-4-yl)methoxy]phenoxy]methyl]-1,2,4-oxadiazole
CID 75372440
5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79794330
5-[(4-methoxyphenoxy)methyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72917784
5-[(4-methoxyphenoxy)methyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453811
1-[4-bromo-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 102948276

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole (CID 60773437) is 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole is Brc1ccc(OCc2nc(C3CC3)no2)cc1.
What is the InChIKey of 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is BISDQZDWRYVVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c13-9-3-5-10(6-4-9)16-7-11-14-12(15-17-11)8-1-2-8/h3-6,8H,1-2,7H2.
What are the key properties of 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole?
5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 295.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 60773437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).