2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C16H11Cl2N3O3 — CID 5111734

IUPAC2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C16H11Cl2N3O3/c1-23-11-5-2-9(3-6-11)15-20-21-16(24-15)19-14(22)12-8-10(17)4-7-13(12)18/h2-8H,1H3,(H,19,21,22)
InChIKeyHZLPGPQBBZSNRD-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.30
Rot. Bonds4

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

2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 5111734) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID5111734
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCOc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1
InChIInChI=1S/C16H11Cl2N3O3/c1-23-11-5-2-9(3-6-11)15-20-21-16(24-15)19-14(22)12-8-10(17)4-7-13(12)18/h2-8H,1H3,(H,19,21,22)
InChIKeyHZLPGPQBBZSNRD-UHFFFAOYSA-N
XLogP4.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 5111734) is 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1.
What is the InChIKey of 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is HZLPGPQBBZSNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c1-23-11-5-2-9(3-6-11)15-20-21-16(24-15)19-14(22)12-8-10(17)4-7-13(12)18/h2-8H,1H3,(H,19,21,22).
What are the key properties of 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 364.19 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 5111734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).