1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one

C24H18N4O2 — CID 153008370

IUPAC1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1Cc2ccccc2C(c2ccccc2)=NC1Nc1noc(-c2ccccc2)n1
InChIInChI=1S/C24H18N4O2/c29-20-15-18-13-7-8-14-19(18)21(16-9-3-1-4-10-16)25-22(20)26-24-27-23(30-28-24)17-11-5-2-6-12-17/h1-14,22H,15H2,(H,26,28)
InChIKeyUZOMVHONTHFXOV-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.14
Rot. Bonds4

About 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one

1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one (PubChem CID 153008370) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one.

Molecular Properties

Compound Name1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one
PubChem CID153008370
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one
SMILESO=C1Cc2ccccc2C(c2ccccc2)=NC1Nc1noc(-c2ccccc2)n1
InChIInChI=1S/C24H18N4O2/c29-20-15-18-13-7-8-14-19(18)21(16-9-3-1-4-10-16)25-22(20)26-24-27-23(30-28-24)17-11-5-2-6-12-17/h1-14,22H,15H2,(H,26,28)
InChIKeyUZOMVHONTHFXOV-UHFFFAOYSA-N
XLogP4.14
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one (CID 153008370) is 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one is O=C1Cc2ccccc2C(c2ccccc2)=NC1Nc1noc(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is UZOMVHONTHFXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c29-20-15-18-13-7-8-14-19(18)21(16-9-3-1-4-10-16)25-22(20)26-24-27-23(30-28-24)17-11-5-2-6-12-17/h1-14,22H,15H2,(H,26,28).
What are the key properties of 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one?
1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 394.43 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 153008370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).