5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one

C24H18FN3O4 — CID 27040396

IUPAC5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2OC[C@H]1c1ccccc1
InChIInChI=1S/C24H18FN3O4/c25-18-12-10-17(11-13-18)23-26-27(24(30)32-23)14-22(29)28-19-8-4-5-9-21(19)31-15-20(28)16-6-2-1-3-7-16/h1-13,20H,14-15H2/t20-/m0/s1
InChIKeyZIKPTAFFKNDJRP-FQEVSTJZSA-N
MW431.42 g/mol
LogP3.81
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 27040396) has the molecular formula C24H18FN3O4 and a molecular weight of 431.42 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one
PubChem CID27040396
Molecular FormulaC24H18FN3O4
Molecular Weight431.42 g/mol
Exact Mass431.13
IUPAC Name5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2OC[C@H]1c1ccccc1
InChIInChI=1S/C24H18FN3O4/c25-18-12-10-17(11-13-18)23-26-27(24(30)32-23)14-22(29)28-19-8-4-5-9-21(19)31-15-20(28)16-6-2-1-3-7-16/h1-13,20H,14-15H2/t20-/m0/s1
InChIKeyZIKPTAFFKNDJRP-FQEVSTJZSA-N
XLogP3.81
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one (CID 27040396) is 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)N1c2ccccc2OC[C@H]1c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is ZIKPTAFFKNDJRP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H18FN3O4/c25-18-12-10-17(11-13-18)23-26-27(24(30)32-23)14-22(29)28-19-8-4-5-9-21(19)31-15-20(28)16-6-2-1-3-7-16/h1-13,20H,14-15H2/t20-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 431.42 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 27040396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).