oxadiazole;1-phenylethenylbenzene

C16H14N2O — CID 174510453

IUPACoxadiazole;1-phenylethenylbenzene
SMILESC=C(c1ccccc1)c1ccccc1.c1conn1
InChIInChI=1S/C14H12.C2H2N2O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-5-4-3-1/h2-11H,1H2;1-2H
InChIKeyBOTLMUJOSHROCJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.82
Rot. Bonds2

About oxadiazole;1-phenylethenylbenzene

oxadiazole;1-phenylethenylbenzene (PubChem CID 174510453) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is oxadiazole;1-phenylethenylbenzene.

Molecular Properties

Compound Nameoxadiazole;1-phenylethenylbenzene
PubChem CID174510453
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Nameoxadiazole;1-phenylethenylbenzene
SMILESC=C(c1ccccc1)c1ccccc1.c1conn1
InChIInChI=1S/C14H12.C2H2N2O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-5-4-3-1/h2-11H,1H2;1-2H
InChIKeyBOTLMUJOSHROCJ-UHFFFAOYSA-N
XLogP3.82
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

mercury(1+);1-phenylethenylbenzene;chloride
CID 171374959
1-phenylethenylbenzene;triazine
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1-phenylethenylbenzene;hydrochloride
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potassium 1-phenylethenylbenzene
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azane;oxadiazole
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phenol;1-phenylethenylbenzene
CID 174309625
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CID 174725577
dihydroxy(dioxo)chromium;oxadiazole
CID 158932356
hydroxy-dimethyl-(1-phenylethenyl)silane
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2,6-dichloro-4-(1-phenylethenyl)pyridine
CID 146175460

Frequently Asked Questions

What is the IUPAC name of oxadiazole;1-phenylethenylbenzene?
The IUPAC name of oxadiazole;1-phenylethenylbenzene (CID 174510453) is oxadiazole;1-phenylethenylbenzene.
What is the SMILES notation for oxadiazole;1-phenylethenylbenzene?
The canonical SMILES for oxadiazole;1-phenylethenylbenzene is C=C(c1ccccc1)c1ccccc1.c1conn1.
What is the InChIKey of oxadiazole;1-phenylethenylbenzene?
The InChIKey is BOTLMUJOSHROCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12.C2H2N2O/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-2-5-4-3-1/h2-11H,1H2;1-2H.
What are the key properties of oxadiazole;1-phenylethenylbenzene?
oxadiazole;1-phenylethenylbenzene has a molecular weight of 250.30 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxadiazole;1-phenylethenylbenzene is sourced from PubChem (CID 174510453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).