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

C23H19N3O3 — CID 20973291

IUPACN-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-28-20-12-10-16(11-13-20)15-24-22(27)18-8-5-9-19(14-18)23-25-21(26-29-23)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,27)
InChIKeyXBBLIJDWDLUNIF-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.34
Rot. Bonds6

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

N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (PubChem CID 20973291) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
PubChem CID20973291
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
SMILESCOc1ccc(CNC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1
InChIInChI=1S/C23H19N3O3/c1-28-20-12-10-16(11-13-20)15-24-22(27)18-8-5-9-19(14-18)23-25-21(26-29-23)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,27)
InChIKeyXBBLIJDWDLUNIF-UHFFFAOYSA-N
XLogP4.34
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
N-benzyl-2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032489
N-(2-phenylethyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973301
N-(2-methoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50828728
N-[(4-methoxyphenyl)methyl]-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrol-1-yl]acetamide
CID 75527010
3-methoxy-N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53049063
2-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-1-phenylethanone
CID 83284781
3-N-[(3-methoxyphenyl)methyl]-1-N-[(4-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 10272573
(2S)-2-amino-3-[4-[5-[3-(4-methoxyphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]propanoic acid;hydrochloride
CID 164571329
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide (CID 20973291) is N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is COc1ccc(CNC(=O)c2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
The InChIKey is XBBLIJDWDLUNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-20-12-10-16(11-13-20)15-24-22(27)18-8-5-9-19(14-18)23-25-21(26-29-23)17-6-3-2-4-7-17/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide?
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide has a molecular weight of 385.42 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide is sourced from PubChem (CID 20973291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).