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

C23H19N3O4 — CID 3742791

IUPACN-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C23H19N3O4/c1-28-17-12-10-16(11-13-17)24-22(27)19-8-3-4-9-20(19)23-25-21(26-30-23)15-6-5-7-18(14-15)29-2/h3-14H,1-2H3,(H,24,27)
InChIKeyLIMCTNSDDYRMKC-UHFFFAOYSA-N
MW401.42 g/mol
LogP4.67
Rot. Bonds6

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

N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 3742791) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID3742791
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC NameN-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(OC)c3)no2)cc1
InChIInChI=1S/C23H19N3O4/c1-28-17-12-10-16(11-13-17)24-22(27)19-8-3-4-9-20(19)23-25-21(26-30-23)15-6-5-7-18(14-15)29-2/h3-14H,1-2H3,(H,24,27)
InChIKeyLIMCTNSDDYRMKC-UHFFFAOYSA-N
XLogP4.67
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 3730602
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbenzamide
CID 2016311
N-(4-chlorophenyl)-2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 2013125
2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylaniline
CID 43519239
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylbenzamide
CID 3267440
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
N-methyl-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 1247975
N-(2-methoxy-5-methylphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50764352
4-methoxy-N,2-diphenylbenzamide
CID 156739257

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 3742791) is N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is COc1ccc(NC(=O)c2ccccc2-c2nc(-c3cccc(OC)c3)no2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is LIMCTNSDDYRMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-28-17-12-10-16(11-13-17)24-22(27)19-8-3-4-9-20(19)23-25-21(26-30-23)15-6-5-7-18(14-15)29-2/h3-14H,1-2H3,(H,24,27).
What are the key properties of N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 401.42 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 3742791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).