(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate

C14H9BrN2O4 — CID 2642917

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Br)o1
InChIInChI=1S/C14H9BrN2O4/c15-11-7-6-10(20-11)14(18)19-8-12-16-17-13(21-12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyKXJZAHZKLVQWRD-UHFFFAOYSA-N
MW349.14 g/mol
LogP3.45
Rot. Bonds4

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate (PubChem CID 2642917) has the molecular formula C14H9BrN2O4 and a molecular weight of 349.14 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate
PubChem CID2642917
Molecular FormulaC14H9BrN2O4
Molecular Weight349.14 g/mol
Exact Mass347.97
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate
SMILESO=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Br)o1
InChIInChI=1S/C14H9BrN2O4/c15-11-7-6-10(20-11)14(18)19-8-12-16-17-13(21-12)9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyKXJZAHZKLVQWRD-UHFFFAOYSA-N
XLogP3.45
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.14
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(furan-2-yl)prop-2-enoate
CID 2469443
[5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl]methyl furan-2-carboxylate
CID 6460267
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-(4-Bromo-phenyl)-5-(5-methyl-furan-2-yl)-[1,3,4]oxadiazole
CID 647736
2-Furan-2-yl-5-(4-propoxy-phenyl)-[1,3,4]oxadiazole
CID 649099
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
Ethyl 5-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoyl]oxy}methyl)-2-furoate
CID 1286715

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate (CID 2642917) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate is O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Br)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate?
The InChIKey is KXJZAHZKLVQWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O4/c15-11-7-6-10(20-11)14(18)19-8-12-16-17-13(21-12)9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate has a molecular weight of 349.14 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 5-bromofuran-2-carboxylate is sourced from PubChem (CID 2642917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).