2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole

C35H23N3O2 — CID 22310206

IUPAC2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
SMILESC(=C/c1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1)\c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C35H23N3O2/c1-2-7-27(8-3-1)32-23-36-33(39-32)28-16-12-24(13-17-28)10-11-25-14-18-29(19-15-25)34-37-38-35(40-34)31-21-20-26-6-4-5-9-30(26)22-31/h1-23H/b11-10+
InChIKeyCQEFGYWHPPCLQH-ZHACJKMWSA-N
MW517.59 g/mol
LogP9.05
Rot. Bonds6

About 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole

2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole (PubChem CID 22310206) has the molecular formula C35H23N3O2 and a molecular weight of 517.59 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
PubChem CID22310206
Molecular FormulaC35H23N3O2
Molecular Weight517.59 g/mol
Exact Mass517.18
IUPAC Name2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole
SMILESC(=C/c1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1)\c1ccc(-c2ncc(-c3ccccc3)o2)cc1
InChIInChI=1S/C35H23N3O2/c1-2-7-27(8-3-1)32-23-36-33(39-32)28-16-12-24(13-17-28)10-11-25-14-18-29(19-15-25)34-37-38-35(40-34)31-21-20-26-6-4-5-9-30(26)22-31/h1-23H/b11-10+
InChIKeyCQEFGYWHPPCLQH-ZHACJKMWSA-N
XLogP9.05
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.59
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole (CID 22310206) is 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole is C(=C/c1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1)\c1ccc(-c2ncc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole?
The InChIKey is CQEFGYWHPPCLQH-ZHACJKMWSA-N. The full InChI is InChI=1S/C35H23N3O2/c1-2-7-27(8-3-1)32-23-36-33(39-32)28-16-12-24(13-17-28)10-11-25-14-18-29(19-15-25)34-37-38-35(40-34)31-21-20-26-6-4-5-9-30(26)22-31/h1-23H/b11-10+.
What are the key properties of 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole?
2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole has a molecular weight of 517.59 g/mol, XLogP of 9.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-5-[4-[(E)-2-[4-(5-phenyl-1,3-oxazol-2-yl)phenyl]ethenyl]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 22310206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).