3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one

C16H16N2O2 — CID 1400736

IUPAC3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
SMILESCN(Cc1ccccc1)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H16N2O2/c1-17(11-13-7-3-2-4-8-13)12-18-14-9-5-6-10-15(14)20-16(18)19/h2-10H,11-12H2,1H3
InChIKeyRIWXUBVSEUOPJO-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.68
Rot. Bonds4

About 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one

3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one (PubChem CID 1400736) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
PubChem CID1400736
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one
SMILESCN(Cc1ccccc1)Cn1c(=O)oc2ccccc21
InChIInChI=1S/C16H16N2O2/c1-17(11-13-7-3-2-4-8-13)12-18-14-9-5-6-10-15(14)20-16(18)19/h2-10H,11-12H2,1H3
InChIKeyRIWXUBVSEUOPJO-UHFFFAOYSA-N
XLogP2.68
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one (CID 1400736) is 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one is CN(Cc1ccccc1)Cn1c(=O)oc2ccccc21.
What is the InChIKey of 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one?
The InChIKey is RIWXUBVSEUOPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17(11-13-7-3-2-4-8-13)12-18-14-9-5-6-10-15(14)20-16(18)19/h2-10H,11-12H2,1H3.
What are the key properties of 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one?
3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(methyl)amino]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 1400736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).