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

C27H22N4O2 — CID 102366365

IUPACN-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C27H22N4O2/c28-23-10-3-4-11-24(23)29-27(32)20-14-12-18(13-15-20)16-25-30-31-26(33-25)17-21-8-5-7-19-6-1-2-9-22(19)21/h1-15H,16-17,28H2,(H,29,32)
InChIKeyCRYKCIKWGVLKDT-UHFFFAOYSA-N
MW434.50 g/mol
LogP5.24
Rot. Bonds6

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

N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (PubChem CID 102366365) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
PubChem CID102366365
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC NameN-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1
InChIInChI=1S/C27H22N4O2/c28-23-10-3-4-11-24(23)29-27(32)20-14-12-18(13-15-20)16-25-30-31-26(33-25)17-21-8-5-7-19-6-1-2-9-22(19)21/h1-15H,16-17,28H2,(H,29,32)
InChIKeyCRYKCIKWGVLKDT-UHFFFAOYSA-N
XLogP5.24
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide (CID 102366365) is N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide is Nc1ccccc1NC(=O)c1ccc(Cc2nnc(Cc3cccc4ccccc34)o2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
The InChIKey is CRYKCIKWGVLKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O2/c28-23-10-3-4-11-24(23)29-27(32)20-14-12-18(13-15-20)16-25-30-31-26(33-25)17-21-8-5-7-19-6-1-2-9-22(19)21/h1-15H,16-17,28H2,(H,29,32).
What are the key properties of N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide?
N-(2-aminophenyl)-4-[[5-(naphthalen-1-ylmethyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide has a molecular weight of 434.50 g/mol, XLogP of 5.24, 6 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]methyl]benzamide is sourced from PubChem (CID 102366365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).