5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one

C14H18N2O2 — CID 115236387

IUPAC5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one
SMILESCC(=O)CCCN(C)c1ccc2nc(C)oc2c1
InChIInChI=1S/C14H18N2O2/c1-10(17)5-4-8-16(3)12-6-7-13-14(9-12)18-11(2)15-13/h6-7,9H,4-5,8H2,1-3H3
InChIKeyBXPXRZQENYSFNN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.94
Rot. Bonds5

About 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one

5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one (PubChem CID 115236387) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one.

Molecular Properties

Compound Name5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one
PubChem CID115236387
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one
SMILESCC(=O)CCCN(C)c1ccc2nc(C)oc2c1
InChIInChI=1S/C14H18N2O2/c1-10(17)5-4-8-16(3)12-6-7-13-14(9-12)18-11(2)15-13/h6-7,9H,4-5,8H2,1-3H3
InChIKeyBXPXRZQENYSFNN-UHFFFAOYSA-N
XLogP2.94
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]propanoate
CID 115232332
[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methanethiol
CID 115227813
2,2-dimethyl-3-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115136508
4-hydroxy-N-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)butanamide
CID 115162920
1-[[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115242854
2-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]acetonitrile
CID 115130898
1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
CID 115235191
N,2-dimethyl-N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-6-amine
CID 115210683
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
2-bromo-N-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 166505833
ethane;7-[2-hydroxyethyl(methyl)amino]-3-methyl-1,4-benzoxazin-2-one
CID 143195102
2-[methyl-(2-methyl-1,3-benzoxazol-5-yl)amino]ethanethiol
CID 115223857

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one?
The IUPAC name of 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one (CID 115236387) is 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one.
What is the SMILES notation for 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one?
The canonical SMILES for 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one is CC(=O)CCCN(C)c1ccc2nc(C)oc2c1.
What is the InChIKey of 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one?
The InChIKey is BXPXRZQENYSFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)5-4-8-16(3)12-6-7-13-14(9-12)18-11(2)15-13/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one?
5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-(2-methyl-1,3-benzoxazol-6-yl)amino]pentan-2-one is sourced from PubChem (CID 115236387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).