1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine

C19H22N2O — CID 19365197

IUPAC1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C19H22N2O/c1-20-18(13-16-10-6-3-7-11-16)19-14-17(21-22-19)12-15-8-4-2-5-9-15/h2-11,18-20H,12-14H2,1H3
InChIKeyDCTZELXEYLBMES-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.20
Rot. Bonds6

About 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine

1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine (PubChem CID 19365197) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine.

Molecular Properties

Compound Name1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine
PubChem CID19365197
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC Name1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine
SMILESCNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C19H22N2O/c1-20-18(13-16-10-6-3-7-11-16)19-14-17(21-22-19)12-15-8-4-2-5-9-15/h2-11,18-20H,12-14H2,1H3
InChIKeyDCTZELXEYLBMES-UHFFFAOYSA-N
XLogP3.20
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine?
The IUPAC name of 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine (CID 19365197) is 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine.
What is the SMILES notation for 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine?
The canonical SMILES for 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine is CNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1.
What is the InChIKey of 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine?
The InChIKey is DCTZELXEYLBMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-20-18(13-16-10-6-3-7-11-16)19-14-17(21-22-19)12-15-8-4-2-5-9-15/h2-11,18-20H,12-14H2,1H3.
What are the key properties of 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine?
1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine has a molecular weight of 294.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-methyl-2-phenylethanamine is sourced from PubChem (CID 19365197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).