3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one

C24H18FN5O2 — CID 134461200

IUPAC3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
SMILESCC1(Nc2nnc(-c3ccc(F)cc3)o2)N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C24H18FN5O2/c1-24(28-23-30-29-21(32-23)16-11-13-17(25)14-12-16)22(31)26-19-10-6-5-9-18(19)20(27-24)15-7-3-2-4-8-15/h2-14H,1H3,(H,26,31)(H,28,30)
InChIKeyZFNVRALFHMVFKW-UHFFFAOYSA-N
MW427.44 g/mol
LogP4.49
Rot. Bonds4

About 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one

3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one (PubChem CID 134461200) has the molecular formula C24H18FN5O2 and a molecular weight of 427.44 g/mol. Its IUPAC name is 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
PubChem CID134461200
Molecular FormulaC24H18FN5O2
Molecular Weight427.44 g/mol
Exact Mass427.14
IUPAC Name3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
SMILESCC1(Nc2nnc(-c3ccc(F)cc3)o2)N=C(c2ccccc2)c2ccccc2NC1=O
InChIInChI=1S/C24H18FN5O2/c1-24(28-23-30-29-21(32-23)16-11-13-17(25)14-12-16)22(31)26-19-10-6-5-9-18(19)20(27-24)15-7-3-2-4-8-15/h2-14H,1H3,(H,26,31)(H,28,30)
InChIKeyZFNVRALFHMVFKW-UHFFFAOYSA-N
XLogP4.49
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one (CID 134461200) is 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one is CC1(Nc2nnc(-c3ccc(F)cc3)o2)N=C(c2ccccc2)c2ccccc2NC1=O.
What is the InChIKey of 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
The InChIKey is ZFNVRALFHMVFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O2/c1-24(28-23-30-29-21(32-23)16-11-13-17(25)14-12-16)22(31)26-19-10-6-5-9-18(19)20(27-24)15-7-3-2-4-8-15/h2-14H,1H3,(H,26,31)(H,28,30).
What are the key properties of 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one has a molecular weight of 427.44 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]amino]-3-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).