3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole

C17H11BrF2N6O — CID 154840828

IUPAC3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(Cn3nnc(Cc4cccc(Br)c4)n3)no2)c(F)c1
InChIInChI=1S/C17H11BrF2N6O/c18-11-3-1-2-10(6-11)7-15-22-25-26(23-15)9-16-21-17(27-24-16)13-5-4-12(19)8-14(13)20/h1-6,8H,7,9H2
InChIKeyBCVCQNVGKZEVOY-UHFFFAOYSA-N
MW433.22 g/mol
LogP3.40
Rot. Bonds5

About 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole

3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole (PubChem CID 154840828) has the molecular formula C17H11BrF2N6O and a molecular weight of 433.22 g/mol. Its IUPAC name is 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
PubChem CID154840828
Molecular FormulaC17H11BrF2N6O
Molecular Weight433.22 g/mol
Exact Mass432.01
IUPAC Name3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2nc(Cn3nnc(Cc4cccc(Br)c4)n3)no2)c(F)c1
InChIInChI=1S/C17H11BrF2N6O/c18-11-3-1-2-10(6-11)7-15-22-25-26(23-15)9-16-21-17(27-24-16)13-5-4-12(19)8-14(13)20/h1-6,8H,7,9H2
InChIKeyBCVCQNVGKZEVOY-UHFFFAOYSA-N
XLogP3.40
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.22
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120179
2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011336
2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-fluoroaniline
CID 43329960
3-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-5-methylthiophen-2-amine
CID 63617374
3-[[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-methylimidazolidine-2,4-dione
CID 99824291
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 55101679
5-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166243424
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
5-(2,4-difluorophenyl)-3-[[5-(2-fluorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 166230333
4-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1H-pyrrole-2-carbonitrile
CID 136782450
2-[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 104742941
[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660504

Frequently Asked Questions

What is the IUPAC name of 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole (CID 154840828) is 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole is Fc1ccc(-c2nc(Cn3nnc(Cc4cccc(Br)c4)n3)no2)c(F)c1.
What is the InChIKey of 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
The InChIKey is BCVCQNVGKZEVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrF2N6O/c18-11-3-1-2-10(6-11)7-15-22-25-26(23-15)9-16-21-17(27-24-16)13-5-4-12(19)8-14(13)20/h1-6,8H,7,9H2.
What are the key properties of 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole?
3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole has a molecular weight of 433.22 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-[(3-bromophenyl)methyl]tetrazol-2-yl]methyl]-5-(2,4-difluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154840828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).