1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one

C14H18N2O2 — CID 115235191

IUPAC1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
SMILESCC(=O)CN(C)CCc1ccc2nc(C)oc2c1
InChIInChI=1S/C14H18N2O2/c1-10(17)9-16(3)7-6-12-4-5-13-14(8-12)18-11(2)15-13/h4-5,8H,6-7,9H2,1-3H3
InChIKeyOKFUVGRLQMRKDW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.20
Rot. Bonds5

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

1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one (PubChem CID 115235191) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one.

Molecular Properties

Compound Name1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
PubChem CID115235191
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one
SMILESCC(=O)CN(C)CCc1ccc2nc(C)oc2c1
InChIInChI=1S/C14H18N2O2/c1-10(17)9-16(3)7-6-12-4-5-13-14(8-12)18-11(2)15-13/h4-5,8H,6-7,9H2,1-3H3
InChIKeyOKFUVGRLQMRKDW-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]acetic acid
CID 82383516
2-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propanoic acid
CID 117042047
N-methyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]acetamide
CID 115191188
3-[methyl-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]amino]propanoic acid
CID 112519384
N-methyl-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 115191348
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
1-[[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]methyl]cyclopropan-1-amine
CID 115257069
N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115259635
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
4-[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]butan-1-ol
CID 115217706
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390
6-(2-methyl-1,3-benzoxazol-6-yl)hexanoic acid
CID 98784268

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one?
The IUPAC name of 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one (CID 115235191) is 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one.
What is the SMILES notation for 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one?
The canonical SMILES for 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one is CC(=O)CN(C)CCc1ccc2nc(C)oc2c1.
What is the InChIKey of 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one?
The InChIKey is OKFUVGRLQMRKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(17)9-16(3)7-6-12-4-5-13-14(8-12)18-11(2)15-13/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one?
1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]amino]propan-2-one is sourced from PubChem (CID 115235191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).