2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile

C18H13N3O — CID 15830924

IUPAC2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile
SMILESCN1OC(C#N)=C(C#N)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13N3O/c1-21-18(14-8-4-2-5-9-14,15-10-6-3-7-11-15)16(12-19)17(13-20)22-21/h2-11H,1H3
InChIKeyGTZCFQLPPRSZTB-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.11
Rot. Bonds2

About 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile

2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile (PubChem CID 15830924) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile
PubChem CID15830924
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile
SMILESCN1OC(C#N)=C(C#N)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13N3O/c1-21-18(14-8-4-2-5-9-14,15-10-6-3-7-11-15)16(12-19)17(13-20)22-21/h2-11H,1H3
InChIKeyGTZCFQLPPRSZTB-UHFFFAOYSA-N
XLogP3.11
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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[(2R,3S)-1,3-dimethyl-2-phenylaziridin-2-yl]-trimethylsilane
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1-methyl-2,2-diphenylazetidin-3-one
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2-amino-4-methyl-4-phenyl-6-sulfanyl-1H-pyridine-3,5-dicarbonitrile
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5,9-diamino-7,10-diphenyl-1,4-diazatricyclo[5.2.1.04,10]deca-5,8-diene-6,8-dicarbonitrile
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2-butan-2-ylsulfanyl-5-oxo-4,4-diphenyl-1H-pyrrole-3-carbonitrile
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5-bromo-1-methyl-4-phenylpyrrole-2-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile?
The IUPAC name of 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile (CID 15830924) is 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile.
What is the SMILES notation for 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile?
The canonical SMILES for 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile is CN1OC(C#N)=C(C#N)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile?
The InChIKey is GTZCFQLPPRSZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c1-21-18(14-8-4-2-5-9-14,15-10-6-3-7-11-15)16(12-19)17(13-20)22-21/h2-11H,1H3.
What are the key properties of 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile?
2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile has a molecular weight of 287.32 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3-diphenyl-1,2-oxazole-4,5-dicarbonitrile is sourced from PubChem (CID 15830924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).