2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole

C16H10BrF2N3O — CID 146324608

IUPAC2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1cnc(/C=C/c2nnc(Cc3cccc(Br)c3)o2)c(F)c1
InChIInChI=1S/C16H10BrF2N3O/c17-11-3-1-2-10(6-11)7-16-22-21-15(23-16)5-4-14-13(19)8-12(18)9-20-14/h1-6,8-9H,7H2/b5-4+
InChIKeyAHORCBYHWXSZOL-SNAWJCMRSA-N
MW378.18 g/mol
LogP4.27
Rot. Bonds4

About 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole

2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole (PubChem CID 146324608) has the molecular formula C16H10BrF2N3O and a molecular weight of 378.18 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole
PubChem CID146324608
Molecular FormulaC16H10BrF2N3O
Molecular Weight378.18 g/mol
Exact Mass377.00
IUPAC Name2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole
SMILESFc1cnc(/C=C/c2nnc(Cc3cccc(Br)c3)o2)c(F)c1
InChIInChI=1S/C16H10BrF2N3O/c17-11-3-1-2-10(6-11)7-16-22-21-15(23-16)5-4-14-13(19)8-12(18)9-20-14/h1-6,8-9H,7H2/b5-4+
InChIKeyAHORCBYHWXSZOL-SNAWJCMRSA-N
XLogP4.27
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.18
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole (CID 146324608) is 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole is Fc1cnc(/C=C/c2nnc(Cc3cccc(Br)c3)o2)c(F)c1.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole?
The InChIKey is AHORCBYHWXSZOL-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H10BrF2N3O/c17-11-3-1-2-10(6-11)7-16-22-21-15(23-16)5-4-14-13(19)8-12(18)9-20-14/h1-6,8-9H,7H2/b5-4+.
What are the key properties of 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole?
2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole has a molecular weight of 378.18 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-5-[(E)-2-(3,5-difluoro-2-pyridinyl)ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 146324608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).