2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide

C22H17N3O3 — CID 17171705

IUPAC2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H17N3O3/c1-27-19-10-6-5-9-18(19)20(26)23-17-13-11-16(12-14-17)22-25-24-21(28-22)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,26)
InChIKeyAHINXZJLDGMFIX-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.66
Rot. Bonds5

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

2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (PubChem CID 17171705) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
PubChem CID17171705
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C22H17N3O3/c1-27-19-10-6-5-9-18(19)20(26)23-17-13-11-16(12-14-17)22-25-24-21(28-22)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,26)
InChIKeyAHINXZJLDGMFIX-UHFFFAOYSA-N
XLogP4.66
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The IUPAC name of 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide (CID 17171705) is 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is COc1ccccc1C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
The InChIKey is AHINXZJLDGMFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-27-19-10-6-5-9-18(19)20(26)23-17-13-11-16(12-14-17)22-25-24-21(28-22)15-7-3-2-4-8-15/h2-14H,1H3,(H,23,26).
What are the key properties of 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide?
2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 17171705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).