2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

C20H21NO3 — CID 10381532

IUPAC2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2-c2ccccc2C2OCCO2)=N1
InChIInChI=1S/C20H21NO3/c1-20(2)13-24-18(21-20)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19-22-11-12-23-19/h3-10,19H,11-13H2,1-2H3
InChIKeyPZYDZEKLMJOSSP-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.95
Rot. Bonds3

About 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 10381532) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID10381532
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2ccccc2-c2ccccc2C2OCCO2)=N1
InChIInChI=1S/C20H21NO3/c1-20(2)13-24-18(21-20)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19-22-11-12-23-19/h3-10,19H,11-13H2,1-2H3
InChIKeyPZYDZEKLMJOSSP-UHFFFAOYSA-N
XLogP3.95
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 10381532) is 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2ccccc2-c2ccccc2C2OCCO2)=N1.
What is the InChIKey of 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is PZYDZEKLMJOSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-20(2)13-24-18(21-20)16-9-5-3-7-14(16)15-8-4-6-10-17(15)19-22-11-12-23-19/h3-10,19H,11-13H2,1-2H3.
What are the key properties of 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 323.39 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(1,3-dioxolan-2-yl)phenyl]phenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 10381532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).