2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole

C13H9BrN2O2 — CID 647736

IUPAC2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)o1
InChIInChI=1S/C13H9BrN2O2/c1-8-2-7-11(17-8)13-16-15-12(18-13)9-3-5-10(14)6-4-9/h2-7H,1H3
InChIKeyLDPHYYSRZOMQRU-UHFFFAOYSA-N
MW305.13 g/mol
LogP4.07
Rot. Bonds2

About 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole

2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole (PubChem CID 647736) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
PubChem CID647736
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)o1
InChIInChI=1S/C13H9BrN2O2/c1-8-2-7-11(17-8)13-16-15-12(18-13)9-3-5-10(14)6-4-9/h2-7H,1H3
InChIKeyLDPHYYSRZOMQRU-UHFFFAOYSA-N
XLogP4.07
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Furyl)-5-phenyl-1,3,4-oxadiazole
CID 84193
1-[5-(Furan-2-yl)-1,3,4-oxadiazol-2-yl]-7-phenylheptan-1-one
CID 44391726
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
2-(4-Ethoxyphenyl)-5-(2-furanyl)-1,3,4-oxadiazole
CID 692974
2-(5-Bromofuran-2-yl)-5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazole
CID 1219876
2-(2-Furyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 1224746
2-Furan-2-yl-5-(4-propoxy-phenyl)-[1,3,4]oxadiazole
CID 649099
2-Furan-2-yl-5-(4-isobutoxy-phenyl)-[1,3,4]oxadiazole
CID 652981
2-(4-Butoxy-phenyl)-5-furan-2-yl-[1,3,4]oxadiazole
CID 655323
2-(5-Bromo-2-furyl)-5-phenyl-1,3,4-oxadiazole
CID 676107
2-[(4-Bromophenyl)methylsulfanyl]-5-(furan-2-yl)-1,3,4-oxadiazole
CID 692344
2-(3-Methoxy-phenyl)-5-(5-methyl-furan-2-yl)-[1,3,4]oxadiazole
CID 856539

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole (CID 647736) is 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)o1.
What is the InChIKey of 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
The InChIKey is LDPHYYSRZOMQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c1-8-2-7-11(17-8)13-16-15-12(18-13)9-3-5-10(14)6-4-9/h2-7H,1H3.
What are the key properties of 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole?
2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole has a molecular weight of 305.13 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(5-methylfuran-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 647736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).