N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide

C23H18BrN3O4 — CID 5297583

IUPACN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3cc(OC)ccc3Br)o2)c1
InChIInChI=1S/C23H18BrN3O4/c1-29-15-7-5-6-14(12-15)21(28)25-20-9-4-3-8-17(20)22-26-27-23(31-22)18-13-16(30-2)10-11-19(18)24/h3-13H,1-2H3,(H,25,28)
InChIKeySDUUZWRDRVHSJS-UHFFFAOYSA-N
MW480.32 g/mol
LogP5.44
Rot. Bonds6

About N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide

N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide (PubChem CID 5297583) has the molecular formula C23H18BrN3O4 and a molecular weight of 480.32 g/mol. Its IUPAC name is N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
PubChem CID5297583
Molecular FormulaC23H18BrN3O4
Molecular Weight480.32 g/mol
Exact Mass479.05
IUPAC NameN-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3cc(OC)ccc3Br)o2)c1
InChIInChI=1S/C23H18BrN3O4/c1-29-15-7-5-6-14(12-15)21(28)25-20-9-4-3-8-17(20)22-26-27-23(31-22)18-13-16(30-2)10-11-19(18)24/h3-13H,1-2H3,(H,25,28)
InChIKeySDUUZWRDRVHSJS-UHFFFAOYSA-N
XLogP5.44
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.32
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide (CID 5297583) is N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3cc(OC)ccc3Br)o2)c1.
What is the InChIKey of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
The InChIKey is SDUUZWRDRVHSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O4/c1-29-15-7-5-6-14(12-15)21(28)25-20-9-4-3-8-17(20)22-26-27-23(31-22)18-13-16(30-2)10-11-19(18)24/h3-13H,1-2H3,(H,25,28).
What are the key properties of N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide?
N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide has a molecular weight of 480.32 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(2-bromo-5-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 5297583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).