N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

C18H12ClN3O4 — CID 16854474

IUPACN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nnc(-c4cccc(Cl)c4)o3)oc12
InChIInChI=1S/C18H12ClN3O4/c1-24-13-7-3-4-10-9-14(25-15(10)13)16(23)20-18-22-21-17(26-18)11-5-2-6-12(19)8-11/h2-9H,1H3,(H,20,22,23)
InChIKeyZESGKBNVUOXNCT-UHFFFAOYSA-N
MW369.76 g/mol
LogP4.40
Rot. Bonds4

About N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide

N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 16854474) has the molecular formula C18H12ClN3O4 and a molecular weight of 369.76 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID16854474
Molecular FormulaC18H12ClN3O4
Molecular Weight369.76 g/mol
Exact Mass369.05
IUPAC NameN-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nnc(-c4cccc(Cl)c4)o3)oc12
InChIInChI=1S/C18H12ClN3O4/c1-24-13-7-3-4-10-9-14(25-15(10)13)16(23)20-18-22-21-17(26-18)11-5-2-6-12(19)8-11/h2-9H,1H3,(H,20,22,23)
InChIKeyZESGKBNVUOXNCT-UHFFFAOYSA-N
XLogP4.40
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.76
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 41228877
7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43972317
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 43976295
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 5185834
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888894
7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43973948
7-methoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40946613
2,6-dimethoxy-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3518645
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-1-methylpyrazole-3-carboxamide
CID 42110962
N-(3-chloro-2-methylphenyl)-7-methoxy-1-benzofuran-2-carboxamide
CID 78869079

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide (CID 16854474) is N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3nnc(-c4cccc(Cl)c4)o3)oc12.
What is the InChIKey of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ZESGKBNVUOXNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O4/c1-24-13-7-3-4-10-9-14(25-15(10)13)16(23)20-18-22-21-17(26-18)11-5-2-6-12(19)8-11/h2-9H,1H3,(H,20,22,23).
What are the key properties of N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 369.76 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16854474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).