N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide

C20H20N4O2 — CID 120838621

IUPACN-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(-c2ccc3c(c2)CCNCC3)n1)Nc1ccccc1
InChIInChI=1S/C20H20N4O2/c25-19(22-17-4-2-1-3-5-17)13-18-23-20(26-24-18)16-7-6-14-8-10-21-11-9-15(14)12-16/h1-7,12,21H,8-11,13H2,(H,22,25)
InChIKeyHKNJPZUVSXPTOM-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.61
Rot. Bonds4

About N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide

N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 120838621) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID120838621
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESO=C(Cc1noc(-c2ccc3c(c2)CCNCC3)n1)Nc1ccccc1
InChIInChI=1S/C20H20N4O2/c25-19(22-17-4-2-1-3-5-17)13-18-23-20(26-24-18)16-7-6-14-8-10-21-11-9-15(14)12-16/h1-7,12,21H,8-11,13H2,(H,22,25)
InChIKeyHKNJPZUVSXPTOM-UHFFFAOYSA-N
XLogP2.61
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211449
methyl 4-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 120841417
2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide
CID 27211427
2-[5-(6-azaspiro[2.5]octan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide;hydrochloride
CID 120838608
3-[(4-fluorophenoxy)methyl]-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842822
N-[[5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylbenzamide
CID 167969254
2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211491
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684
2-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 99632717
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838527
2-[5-(3-aminobutan-2-yl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 120838525
N-(3,5-dichlorophenyl)-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 27211727

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide (CID 120838621) is N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide is O=C(Cc1noc(-c2ccc3c(c2)CCNCC3)n1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is HKNJPZUVSXPTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(22-17-4-2-1-3-5-17)13-18-23-20(26-24-18)16-7-6-14-8-10-21-11-9-15(14)12-16/h1-7,12,21H,8-11,13H2,(H,22,25).
What are the key properties of N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide?
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 120838621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).