2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one

C24H18N4O4 — CID 166211993

IUPAC2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one
SMILESO=c1nc(-c2ccccc2)on1Cc1ccc(Cn2oc(-c3ccccc3)nc2=O)cc1
InChIInChI=1S/C24H18N4O4/c29-23-25-21(19-7-3-1-4-8-19)31-27(23)15-17-11-13-18(14-12-17)16-28-24(30)26-22(32-28)20-9-5-2-6-10-20/h1-14H,15-16H2
InChIKeyCBXHLXVVVDRHJB-UHFFFAOYSA-N
MW426.43 g/mol
LogP3.42
Rot. Bonds6

About 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one

2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one (PubChem CID 166211993) has the molecular formula C24H18N4O4 and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one.

Molecular Properties

Compound Name2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one
PubChem CID166211993
Molecular FormulaC24H18N4O4
Molecular Weight426.43 g/mol
Exact Mass426.13
IUPAC Name2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one
SMILESO=c1nc(-c2ccccc2)on1Cc1ccc(Cn2oc(-c3ccccc3)nc2=O)cc1
InChIInChI=1S/C24H18N4O4/c29-23-25-21(19-7-3-1-4-8-19)31-27(23)15-17-11-13-18(14-12-17)16-28-24(30)26-22(32-28)20-9-5-2-6-10-20/h1-14H,15-16H2
InChIKeyCBXHLXVVVDRHJB-UHFFFAOYSA-N
XLogP3.42
TPSA96.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one?
The IUPAC name of 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one (CID 166211993) is 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one.
What is the SMILES notation for 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one?
The canonical SMILES for 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one is O=c1nc(-c2ccccc2)on1Cc1ccc(Cn2oc(-c3ccccc3)nc2=O)cc1.
What is the InChIKey of 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one?
The InChIKey is CBXHLXVVVDRHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4/c29-23-25-21(19-7-3-1-4-8-19)31-27(23)15-17-11-13-18(14-12-17)16-28-24(30)26-22(32-28)20-9-5-2-6-10-20/h1-14H,15-16H2.
What are the key properties of 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one?
2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one has a molecular weight of 426.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(3-oxo-5-phenyl-1,2,4-oxadiazol-2-yl)methyl]phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-one is sourced from PubChem (CID 166211993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).