3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one

C16H16N2O2 — CID 116926141

IUPAC3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
SMILESCNc1ccc(Cc2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C16H16N2O2/c1-17-13-6-3-11(4-7-13)9-12-5-8-14-15(10-12)20-16(19)18(14)2/h3-8,10,17H,9H2,1-2H3
InChIKeyFJDIADRCGRJPHB-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds3

About 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one

3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one (PubChem CID 116926141) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
PubChem CID116926141
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
SMILESCNc1ccc(Cc2ccc3c(c2)oc(=O)n3C)cc1
InChIInChI=1S/C16H16N2O2/c1-17-13-6-3-11(4-7-13)9-12-5-8-14-15(10-12)20-16(19)18(14)2/h3-8,10,17H,9H2,1-2H3
InChIKeyFJDIADRCGRJPHB-UHFFFAOYSA-N
XLogP2.76
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
CID 116843407
6-(2-amino-2-methylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 82494051
3-methyl-6-[3-(methylamino)propylamino]-1,3-benzoxazol-2-one
CID 115197727
6-[(4-methoxyphenyl)methylamino]-3-methyl-1,3-benzoxazol-2-one
CID 22433803
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
6-(ethylsulfamoylamino)-3-methyl-1,3-benzoxazol-2-one
CID 110608285
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-2-oxopropanamide
CID 115175681
6-[3-(diethylamino)propyl]-3-methyl-1,3-benzoxazol-2-one
CID 14751611
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-2-oxoacetic acid
CID 115141348
N'-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanehydrazide
CID 116846543
6-(diazenylmethyl)-3-methyl-1,3-benzoxazol-2-one
CID 89345926

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one (CID 116926141) is 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one is CNc1ccc(Cc2ccc3c(c2)oc(=O)n3C)cc1.
What is the InChIKey of 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is FJDIADRCGRJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-17-13-6-3-11(4-7-13)9-12-5-8-14-15(10-12)20-16(19)18(14)2/h3-8,10,17H,9H2,1-2H3.
What are the key properties of 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one?
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 268.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 116926141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).