N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide

C28H20N4O3 — CID 167525480

IUPACN-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(Cn2ccc3cc(-c4noc(=O)[nH]4)ccc32)cc1
InChIInChI=1S/C28H20N4O3/c33-27(29-24-7-3-5-19-4-1-2-6-23(19)24)20-10-8-18(9-11-20)17-32-15-14-21-16-22(12-13-25(21)32)26-30-28(34)35-31-26/h1-16H,17H2,(H,29,33)(H,30,31,34)
InChIKeyYPKKYHMJUBAQMY-UHFFFAOYSA-N
MW460.49 g/mol
LogP5.44
Rot. Bonds5

About N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide

N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide (PubChem CID 167525480) has the molecular formula C28H20N4O3 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
PubChem CID167525480
Molecular FormulaC28H20N4O3
Molecular Weight460.49 g/mol
Exact Mass460.15
IUPAC NameN-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc(Cn2ccc3cc(-c4noc(=O)[nH]4)ccc32)cc1
InChIInChI=1S/C28H20N4O3/c33-27(29-24-7-3-5-19-4-1-2-6-23(19)24)20-10-8-18(9-11-20)17-32-15-14-21-16-22(12-13-25(21)32)26-30-28(34)35-31-26/h1-16H,17H2,(H,29,33)(H,30,31,34)
InChIKeyYPKKYHMJUBAQMY-UHFFFAOYSA-N
XLogP5.44
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.49
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide
CID 167525503
1-[[4-(phenylcarbamoyl)phenyl]methyl]indole-5-carboxamide
CID 90075227
N-naphthalen-1-yl-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 46862145
1-benzyl-N'-(4-oxo-3H-quinazolin-2-yl)indole-5-carbohydrazide
CID 154840665
4-(4-acetylphenyl)-N-naphthalen-1-ylbenzamide
CID 170421600
N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]naphthalene-2-carboxamide
CID 135896368
1-[(4-chloro-3-fluorophenyl)methyl]-N-phenylindole-5-carboxamide
CID 145364579
1-[(4-chlorophenyl)methyl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indole-3-carbaldehyde
CID 150483335
N-naphthalen-1-yl-4-sulfanylbenzamide
CID 107019782
2-(1-benzylindol-5-yl)acetic acid
CID 71441824
N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide
CID 135895153
4-[[5-(hydroxymethyl)indol-1-yl]methyl]benzoic acid
CID 102912731

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide?
The IUPAC name of N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide (CID 167525480) is N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide.
What is the SMILES notation for N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide?
The canonical SMILES for N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide is O=C(Nc1cccc2ccccc12)c1ccc(Cn2ccc3cc(-c4noc(=O)[nH]4)ccc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide?
The InChIKey is YPKKYHMJUBAQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O3/c33-27(29-24-7-3-5-19-4-1-2-6-23(19)24)20-10-8-18(9-11-20)17-32-15-14-21-16-22(12-13-25(21)32)26-30-28(34)35-31-26/h1-16H,17H2,(H,29,33)(H,30,31,34).
What are the key properties of N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide?
N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide has a molecular weight of 460.49 g/mol, XLogP of 5.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4-[[5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)indol-1-yl]methyl]benzamide is sourced from PubChem (CID 167525480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).