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

C22H15FN6O2 — CID 134461303

IUPAC3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(F)cn2)o1
InChIInChI=1S/C22H15FN6O2/c23-14-10-11-17(24-12-14)21-28-29-22(31-21)27-19-20(30)25-16-9-5-4-8-15(16)18(26-19)13-6-2-1-3-7-13/h1-12,19H,(H,25,30)(H,27,29)
InChIKeyVTXVCBNQLFLJQH-UHFFFAOYSA-N
MW414.40 g/mol
LogP3.50
Rot. Bonds4

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

3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (PubChem CID 134461303) has the molecular formula C22H15FN6O2 and a molecular weight of 414.40 g/mol. Its IUPAC name is 3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
PubChem CID134461303
Molecular FormulaC22H15FN6O2
Molecular Weight414.40 g/mol
Exact Mass414.12
IUPAC Name3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
SMILESO=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(F)cn2)o1
InChIInChI=1S/C22H15FN6O2/c23-14-10-11-17(24-12-14)21-28-29-22(31-21)27-19-20(30)25-16-9-5-4-8-15(16)18(26-19)13-6-2-1-3-7-13/h1-12,19H,(H,25,30)(H,27,29)
InChIKeyVTXVCBNQLFLJQH-UHFFFAOYSA-N
XLogP3.50
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

Zelicapavir
CID 134461434
3-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4296584
3-chloro-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4056807
4-cyano-N-(5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl)benzamide
CID 4097143
4-bromo-N-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 5057534
5-(3-pyridin-3-ylphenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 137657018
5-(4-pyridin-3-yl-2-pyridinyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 137660432
2-(5-Pyridin-2-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-(2-trifluoromethyl-phenyl)-acetamide
CID 6472408
[4-[5-Amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-2-fluorophenyl]-(1,4-diazepan-1-yl)methanone
CID 59471882
US11390631, Example 139
CID 134461084
US11390631, Example 7a
CID 134461145
US11390631, Example 55
CID 134461150

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The IUPAC name of 3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one (CID 134461303) is 3-[[5-(5-fluoro-2-pyridinyl)-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-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The canonical SMILES for 3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2ccc(F)cn2)o1.
What is the InChIKey of 3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
The InChIKey is VTXVCBNQLFLJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN6O2/c23-14-10-11-17(24-12-14)21-28-29-22(31-21)27-19-20(30)25-16-9-5-4-8-15(16)18(26-19)13-6-2-1-3-7-13/h1-12,19H,(H,25,30)(H,27,29).
What are the key properties of 3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one?
3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one has a molecular weight of 414.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(5-fluoro-2-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one is sourced from PubChem (CID 134461303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).