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

C23H15F2N5O2 — CID 134461132

IUPAC3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C23H15F2N5O2/c24-14-10-11-15(17(25)12-14)22-29-30-23(32-22)28-20-21(31)26-18-9-5-4-8-16(18)19(27-20)13-6-2-1-3-7-13/h1-12,20H,(H,26,31)(H,28,30)
InChIKeyJELAINWXKYTZLN-UHFFFAOYSA-N
MW431.40 g/mol
LogP4.24
Rot. Bonds4

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

3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461132) has the molecular formula C23H15F2N5O2 and a molecular weight of 431.40 g/mol. Its IUPAC name is 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461132
Molecular FormulaC23H15F2N5O2
Molecular Weight431.40 g/mol
Exact Mass431.12
IUPAC Name3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(F)cc2F)o1
InChIInChI=1S/C23H15F2N5O2/c24-14-10-11-15(17(25)12-14)22-29-30-23(32-22)28-20-21(31)26-18-9-5-4-8-16(18)19(27-20)13-6-2-1-3-7-13/h1-12,20H,(H,26,31)(H,28,30)
InChIKeyJELAINWXKYTZLN-UHFFFAOYSA-N
XLogP4.24
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461132) is 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(F)cc2F)o1.
What is the InChIKey of 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is JELAINWXKYTZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F2N5O2/c24-14-10-11-15(17(25)12-14)22-29-30-23(32-22)28-20-21(31)26-18-9-5-4-8-16(18)19(27-20)13-6-2-1-3-7-13/h1-12,20H,(H,26,31)(H,28,30).
What are the key properties of 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 431.40 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).