1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine

C18H20N2O — CID 150632638

IUPAC1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ccccc2C2=CCON2)cc1
InChIInChI=1S/C18H20N2O/c1-20(2)13-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18-11-12-21-19-18/h3-11,19H,12-13H2,1-2H3
InChIKeyIYFGPOBLVZTUKX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.29
Rot. Bonds4

About 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine

1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine (PubChem CID 150632638) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine
PubChem CID150632638
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1ccc(-c2ccccc2C2=CCON2)cc1
InChIInChI=1S/C18H20N2O/c1-20(2)13-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18-11-12-21-19-18/h3-11,19H,12-13H2,1-2H3
InChIKeyIYFGPOBLVZTUKX-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine (CID 150632638) is 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine is CN(C)Cc1ccc(-c2ccccc2C2=CCON2)cc1.
What is the InChIKey of 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine?
The InChIKey is IYFGPOBLVZTUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-20(2)13-14-7-9-15(10-8-14)16-5-3-4-6-17(16)18-11-12-21-19-18/h3-11,19H,12-13H2,1-2H3.
What are the key properties of 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine?
1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine has a molecular weight of 280.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,5-dihydro-1,2-oxazol-3-yl)phenyl]phenyl]-N,N-dimethylmethanamine is sourced from PubChem (CID 150632638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).