N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide

C26H20N4O2 — CID 118707842

IUPACN-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2nnc(Cc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C26H20N4O2/c27-22-10-3-4-11-23(22)28-25(31)18-12-14-19(15-13-18)26-30-29-24(32-26)16-20-8-5-7-17-6-1-2-9-21(17)20/h1-15H,16,27H2,(H,28,31)
InChIKeyBQOWROLRGWBKOQ-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.32
Rot. Bonds5

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

N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 118707842) has the molecular formula C26H20N4O2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID118707842
Molecular FormulaC26H20N4O2
Molecular Weight420.47 g/mol
Exact Mass420.16
IUPAC NameN-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(-c2nnc(Cc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C26H20N4O2/c27-22-10-3-4-11-23(22)28-25(31)18-12-14-19(15-13-18)26-30-29-24(32-26)16-20-8-5-7-17-6-1-2-9-21(17)20/h1-15H,16,27H2,(H,28,31)
InChIKeyBQOWROLRGWBKOQ-UHFFFAOYSA-N
XLogP5.32
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-cyanophenyl)-2'-methyl-5'-(5-methyl-1,3,4-oxadiazol-2-yl)-4-biphenylcarboxamide
CID 10200651
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 25093461
4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 25093463
N-(4-methanesulfonamidophenyl)-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 25093464
N-(3-cyanophenyl)-N-methyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 10158364
N-(2-aminophenyl)-4-((5-phenyl-1,3,4-oxadiazol-2-ylthio)methyl)benzamide
CID 10201125
2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[3-(4-morpholinyl)phenyl][1,1'-biphenyl]-3-carboxamide
CID 44580420
N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 102366365
N-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2231948
N-[4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 44580449
(E)-N-(2-aminophenyl)-3-[4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 118707838
(E)-N-(2-aminophenyl)-3-[4-[5-(naphthalen-2-ylmethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enamide
CID 118707839

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 118707842) is N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is Nc1ccccc1NC(=O)c1ccc(-c2nnc(Cc3cccc4ccccc34)o2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is BQOWROLRGWBKOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2/c27-22-10-3-4-11-23(22)28-25(31)18-12-14-19(15-13-18)26-30-29-24(32-26)16-20-8-5-7-17-6-1-2-9-21(17)20/h1-15H,16,27H2,(H,28,31).
What are the key properties of N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide?
N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 5.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 118707842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).