3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C17H14ClN3O4 — CID 7655642

IUPAC3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)cc1OC
InChIInChI=1S/C17H14ClN3O4/c1-23-13-7-6-11(9-14(13)24-2)16-20-21-17(25-16)19-15(22)10-4-3-5-12(18)8-10/h3-9H,1-2H3,(H,19,21,22)
InChIKeyGTVFNNGVEPKHOE-UHFFFAOYSA-N
MW359.77 g/mol
LogP3.66
Rot. Bonds5

About 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 7655642) has the molecular formula C17H14ClN3O4 and a molecular weight of 359.77 g/mol. Its IUPAC name is 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID7655642
Molecular FormulaC17H14ClN3O4
Molecular Weight359.77 g/mol
Exact Mass359.07
IUPAC Name3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)cc1OC
InChIInChI=1S/C17H14ClN3O4/c1-23-13-7-6-11(9-14(13)24-2)16-20-21-17(25-16)19-15(22)10-4-3-5-12(18)8-10/h3-9H,1-2H3,(H,19,21,22)
InChIKeyGTVFNNGVEPKHOE-UHFFFAOYSA-N
XLogP3.66
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 7655642) is 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccc(-c2nnc(NC(=O)c3cccc(Cl)c3)o2)cc1OC.
What is the InChIKey of 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is GTVFNNGVEPKHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4/c1-23-13-7-6-11(9-14(13)24-2)16-20-21-17(25-16)19-15(22)10-4-3-5-12(18)8-10/h3-9H,1-2H3,(H,19,21,22).
What are the key properties of 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 359.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 7655642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).