6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one

C15H22N2O2 — CID 62298459

IUPAC6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(NC)C(C)(C)C)ccc21
InChIInChI=1S/C15H22N2O2/c1-6-17-11-8-7-10(9-12(11)19-14(17)18)13(16-5)15(2,3)4/h7-9,13,16H,6H2,1-5H3
InChIKeyQUIGTOCHLPQTJT-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.92
Rot. Bonds3

About 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one

6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one (PubChem CID 62298459) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one
PubChem CID62298459
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(NC)C(C)(C)C)ccc21
InChIInChI=1S/C15H22N2O2/c1-6-17-11-8-7-10(9-12(11)19-14(17)18)13(16-5)15(2,3)4/h7-9,13,16H,6H2,1-5H3
InChIKeyQUIGTOCHLPQTJT-UHFFFAOYSA-N
XLogP2.92
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-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

Frequently Asked Questions

What is the IUPAC name of 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one (CID 62298459) is 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(NC)C(C)(C)C)ccc21.
What is the InChIKey of 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one?
The InChIKey is QUIGTOCHLPQTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-17-11-8-7-10(9-12(11)19-14(17)18)13(16-5)15(2,3)4/h7-9,13,16H,6H2,1-5H3.
What are the key properties of 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one?
6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one has a molecular weight of 262.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,2-dimethyl-1-(methylamino)propyl]-3-ethyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 62298459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).