4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine

C17H20N2O2 — CID 157121642

IUPAC4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine
SMILESCC1(C)ON(c2cccc(-c3ccccn3)c2)OC1(C)C
InChIInChI=1S/C17H20N2O2/c1-16(2)17(3,4)21-19(20-16)14-9-7-8-13(12-14)15-10-5-6-11-18-15/h5-12H,1-4H3
InChIKeyLFGDIGQIAOELBZ-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.99
Rot. Bonds2

About 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine

4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine (PubChem CID 157121642) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine
PubChem CID157121642
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine
SMILESCC1(C)ON(c2cccc(-c3ccccn3)c2)OC1(C)C
InChIInChI=1S/C17H20N2O2/c1-16(2)17(3,4)21-19(20-16)14-9-7-8-13(12-14)15-10-5-6-11-18-15/h5-12H,1-4H3
InChIKeyLFGDIGQIAOELBZ-UHFFFAOYSA-N
XLogP3.99
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
2-[1-(3-pyridin-2-ylphenyl)pyrazol-4-yl]pyridine
CID 11150679
2-[3-(1-methylcyclopropyl)phenyl]pyridine
CID 59346149
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
9,14-bis(3-pyridin-2-ylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 118504672
CID 88529992
CID 88529992
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
20,20-dimethyl-3-(3-pyridin-2-ylphenyl)-3,8-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene
CID 71037148
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
7-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 164802716

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine?
The IUPAC name of 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine (CID 157121642) is 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine is CC1(C)ON(c2cccc(-c3ccccn3)c2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine?
The InChIKey is LFGDIGQIAOELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-16(2)17(3,4)21-19(20-16)14-9-7-8-13(12-14)15-10-5-6-11-18-15/h5-12H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine?
4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine has a molecular weight of 284.36 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(3-pyridin-2-ylphenyl)-1,3,2-dioxazolidine is sourced from PubChem (CID 157121642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).