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

C23H15F3N6O2 — CID 134461130

IUPAC5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C23H15F3N6O2/c24-23(25,26)14-10-11-17(27-12-14)21-31-32-22(34-21)30-19-20(33)28-16-9-5-4-8-15(16)18(29-19)13-6-2-1-3-7-13/h1-12,19H,(H,28,33)(H,30,32)
InChIKeyPLNRVVXMEZNKIL-UHFFFAOYSA-N
MW464.41 g/mol
LogP4.38
Rot. Bonds4

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

5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461130) has the molecular formula C23H15F3N6O2 and a molecular weight of 464.41 g/mol. Its IUPAC name is 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461130
Molecular FormulaC23H15F3N6O2
Molecular Weight464.41 g/mol
Exact Mass464.12
IUPAC Name5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C23H15F3N6O2/c24-23(25,26)14-10-11-17(27-12-14)21-31-32-22(34-21)30-19-20(33)28-16-9-5-4-8-15(16)18(29-19)13-6-2-1-3-7-13/h1-12,19H,(H,28,33)(H,30,32)
InChIKeyPLNRVVXMEZNKIL-UHFFFAOYSA-N
XLogP4.38
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.41
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461130) is 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-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-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is PLNRVVXMEZNKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15F3N6O2/c24-23(25,26)14-10-11-17(27-12-14)21-31-32-22(34-21)30-19-20(33)28-16-9-5-4-8-15(16)18(29-19)13-6-2-1-3-7-13/h1-12,19H,(H,28,33)(H,30,32).
What are the key properties of 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one?
5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 464.41 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).