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

C22H18N4O4 — CID 30330865

IUPAC3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C22H18N4O4/c1-28-15-11-14(12-16(13-15)29-2)21(27)24-18-8-4-3-7-17(18)22-25-20(26-30-22)19-9-5-6-10-23-19/h3-13H,1-2H3,(H,24,27)
InChIKeyPHTMIRJVZBPBFW-UHFFFAOYSA-N
MW402.41 g/mol
LogP4.07
Rot. Bonds6

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

3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 30330865) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID30330865
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)c1
InChIInChI=1S/C22H18N4O4/c1-28-15-11-14(12-16(13-15)29-2)21(27)24-18-8-4-3-7-17(18)22-25-20(26-30-22)19-9-5-6-10-23-19/h3-13H,1-2H3,(H,24,27)
InChIKeyPHTMIRJVZBPBFW-UHFFFAOYSA-N
XLogP4.07
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-propoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330564
3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329065
2-methoxy-3-methyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30334062
4-phenyl-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30329289
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-methoxybenzamide
CID 4972451
2-methyl-3-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330120
2-chloro-5-nitro-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330382
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
3-pyridin-2-yl-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912385
3,4-dimethoxy-N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330830
N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-6-methylpyridine-3-carboxamide
CID 30334645
N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-3-propoxybenzamide
CID 30330604

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 30330865) is 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nc(-c3ccccn3)no2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is PHTMIRJVZBPBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-28-15-11-14(12-16(13-15)29-2)21(27)24-18-8-4-3-7-17(18)22-25-20(26-30-22)19-9-5-6-10-23-19/h3-13H,1-2H3,(H,24,27).
What are the key properties of 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 402.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 30330865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).