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

C27H24N6O2 — CID 134461340

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

5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461340) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

• Compound Name: 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
• PubChem CID: 134461340
• Molecular Formula: C27H24N6O2
• Molecular Weight: 464.53 g/mol
• Exact Mass: 464.20
• IUPAC Name: 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
• SMILES: O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(N3CCCC3)cc2)o1
• InChI: InChI=1S/C27H24N6O2/c34-25-24(29-23(18-8-2-1-3-9-18)21-10-4-5-11-22(21)28-25)30-27-32-31-26(35-27)19-12-14-20(15-13-19)33-16-6-7-17-33/h1-5,8-15,24H,6-7,16-17H2,(H,28,34)(H,30,32)
• InChIKey: FBBUBUFTURRYDQ-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 95.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.53
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?

The IUPAC name of 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461340) is 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one.

What is the SMILES notation for 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?

The canonical SMILES for 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(N3CCCC3)cc2)o1.

What is the InChIKey of 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?

The InChIKey is FBBUBUFTURRYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c34-25-24(29-23(18-8-2-1-3-9-18)21-10-4-5-11-22(21)28-25)30-27-32-31-26(35-27)19-12-14-20(15-13-19)33-16-6-7-17-33/h1-5,8-15,24H,6-7,16-17H2,(H,28,34)(H,30,32).

What are the key properties of 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?

5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 464.53 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-3-[[5-(4-pyrrolidin-1-ylphenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).