2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole

C12H7ClN2O2 — CID 707391

IUPAC2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C12H7ClN2O2/c13-9-5-3-8(4-6-9)11-14-15-12(17-11)10-2-1-7-16-10/h1-7H
InChIKeyVFBWOOHDXXQWDU-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.65
Rot. Bonds2

About 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole

2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole (PubChem CID 707391) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
PubChem CID707391
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC Name2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C12H7ClN2O2/c13-9-5-3-8(4-6-9)11-14-15-12(17-11)10-2-1-7-16-10/h1-7H
InChIKeyVFBWOOHDXXQWDU-UHFFFAOYSA-N
XLogP3.65
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.65
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
4-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5223276
8-Phenyl-1-(5-pyridin-2-yl-[1,3,4]oxadiazol-2-yl)-octan-1-one
CID 44389967
1-(2-Chlorophenyl)-2-{[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-1-ethanone
CID 1475096
[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-(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

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole (CID 707391) is 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
The InChIKey is VFBWOOHDXXQWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-9-5-3-8(4-6-9)11-14-15-12(17-11)10-2-1-7-16-10/h1-7H.
What are the key properties of 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole has a molecular weight of 246.65 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(furan-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 707391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).