2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol

C17H11ClN2O3 — CID 135545143

IUPAC2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol
SMILESCc1c(-c2nnc(-c3ccc(Cl)cc3)o2)oc2cccc(O)c12
InChIInChI=1S/C17H11ClN2O3/c1-9-14-12(21)3-2-4-13(14)22-15(9)17-20-19-16(23-17)10-5-7-11(18)8-6-10/h2-8,21H,1H3
InChIKeyUBMAICXVRRFACG-UHFFFAOYSA-N
MW326.74 g/mol
LogP4.82
Rot. Bonds2

About 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol

2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol (PubChem CID 135545143) has the molecular formula C17H11ClN2O3 and a molecular weight of 326.74 g/mol. Its IUPAC name is 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol
PubChem CID135545143
Molecular FormulaC17H11ClN2O3
Molecular Weight326.74 g/mol
Exact Mass326.05
IUPAC Name2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol
SMILESCc1c(-c2nnc(-c3ccc(Cl)cc3)o2)oc2cccc(O)c12
InChIInChI=1S/C17H11ClN2O3/c1-9-14-12(21)3-2-4-13(14)22-15(9)17-20-19-16(23-17)10-5-7-11(18)8-6-10/h2-8,21H,1H3
InChIKeyUBMAICXVRRFACG-UHFFFAOYSA-N
XLogP4.82
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-dichlorophenyl)-5-(4-methoxy-3-methyl-1-benzofuran-2-yl)-1,3,4-oxadiazole
CID 10981650
2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenol;zinc
CID 158215980
2-(4-chlorophenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 687081
5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
CID 86058835
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutan-1-amine
CID 110652439
5-(4-chlorophenyl)-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 1487943
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624
beryllium;hydride;2-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
CID 174487083
2-(4-chlorophenyl)-5-(4-ethoxyphenyl)-1,3,4-oxadiazole
CID 866005
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8699771

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol?
The IUPAC name of 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol (CID 135545143) is 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol.
What is the SMILES notation for 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol?
The canonical SMILES for 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol is Cc1c(-c2nnc(-c3ccc(Cl)cc3)o2)oc2cccc(O)c12.
What is the InChIKey of 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol?
The InChIKey is UBMAICXVRRFACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O3/c1-9-14-12(21)3-2-4-13(14)22-15(9)17-20-19-16(23-17)10-5-7-11(18)8-6-10/h2-8,21H,1H3.
What are the key properties of 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol?
2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol has a molecular weight of 326.74 g/mol, XLogP of 4.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-methyl-1-benzofuran-4-ol is sourced from PubChem (CID 135545143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).