2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole

C16H10BrN5O2 — CID 53153707

IUPAC2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1
InChIInChI=1S/C16H10BrN5O2/c17-12-3-1-2-11(8-12)16-21-20-14(23-16)9-13-19-15(22-24-13)10-4-6-18-7-5-10/h1-8H,9H2
InChIKeyJOQDHVYAZKTEAJ-UHFFFAOYSA-N
MW384.19 g/mol
LogP3.53
Rot. Bonds4

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

2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (PubChem CID 53153707) has the molecular formula C16H10BrN5O2 and a molecular weight of 384.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
PubChem CID53153707
Molecular FormulaC16H10BrN5O2
Molecular Weight384.19 g/mol
Exact Mass383.00
IUPAC Name2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1
InChIInChI=1S/C16H10BrN5O2/c17-12-3-1-2-11(8-12)16-21-20-14(23-16)9-13-19-15(22-24-13)10-4-6-18-7-5-10/h1-8H,9H2
InChIKeyJOQDHVYAZKTEAJ-UHFFFAOYSA-N
XLogP3.53
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.19
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-bromophenyl)-5-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153597
2-(3-methylphenyl)-5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole
CID 53153559
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153514
2-(3-methoxyphenyl)-5-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153650
2-(4-methoxyphenyl)-5-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153547
2-(4-chlorophenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153603
2-(3,4-dimethoxyphenyl)-5-[[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153580
3-(3-bromophenyl)-5-(iodomethyl)-1,2,4-oxadiazole
CID 64787760
2-(3,4-dimethylphenyl)-5-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3,4-oxadiazole
CID 53153635
2-[[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153646
2-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164297
2-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 53153647

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole (CID 53153707) is 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is Brc1cccc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is JOQDHVYAZKTEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5O2/c17-12-3-1-2-11(8-12)16-21-20-14(23-16)9-13-19-15(22-24-13)10-4-6-18-7-5-10/h1-8H,9H2.
What are the key properties of 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 384.19 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 53153707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).