1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one

C12H14N2O2 — CID 116955902

IUPAC1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
SMILESCNC(C(C)=O)c1ccc2nc(C)oc2c1
InChIInChI=1S/C12H14N2O2/c1-7(15)12(13-3)9-4-5-10-11(6-9)16-8(2)14-10/h4-6,12-13H,1-3H3
InChIKeyQPJRRBXLWOBJBG-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.99
Rot. Bonds3

About 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one

1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one (PubChem CID 116955902) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one.

Molecular Properties

Compound Name1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
PubChem CID116955902
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one
SMILESCNC(C(C)=O)c1ccc2nc(C)oc2c1
InChIInChI=1S/C12H14N2O2/c1-7(15)12(13-3)9-4-5-10-11(6-9)16-8(2)14-10/h4-6,12-13H,1-3H3
InChIKeyQPJRRBXLWOBJBG-UHFFFAOYSA-N
XLogP1.99
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)methanediamine
CID 116939357
2-hydroxy-2-(2-methyl-1,3-benzoxazol-6-yl)acetic acid
CID 131325865
2-chloro-1-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 116863715
N,N'-dimethyl-1-(2-methyl-1,3-benzoxazol-6-yl)propane-1,3-diamine
CID 116948599
2-(2-methyl-1,3-benzoxazol-6-yl)propan-1-ol
CID 117282404
2-bromo-1-(2-methyl-1,3-benzoxazol-6-yl)ethanol
CID 116863243
N-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine
CID 116949342
1-amino-2-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-ol
CID 116942135
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712
N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
2-(dimethylamino)-2-(2-methyl-1,3-benzoxazol-6-yl)ethanethiol
CID 116908843
N'-methyl-1-(2-methyl-1,3-benzoxazol-6-yl)butane-1,4-diamine
CID 116933909

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one?
The IUPAC name of 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one (CID 116955902) is 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one.
What is the SMILES notation for 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one?
The canonical SMILES for 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one is CNC(C(C)=O)c1ccc2nc(C)oc2c1.
What is the InChIKey of 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one?
The InChIKey is QPJRRBXLWOBJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-7(15)12(13-3)9-4-5-10-11(6-9)16-8(2)14-10/h4-6,12-13H,1-3H3.
What are the key properties of 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one?
1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)propan-2-one is sourced from PubChem (CID 116955902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).