3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one

C15H20N2O3 — CID 62298979

IUPAC3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(NC)C3CCCO3)ccc21
InChIInChI=1S/C15H20N2O3/c1-3-17-11-7-6-10(9-13(11)20-15(17)18)14(16-2)12-5-4-8-19-12/h6-7,9,12,14,16H,3-5,8H2,1-2H3
InChIKeyQPULOBLUMIRTOW-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.05
Rot. Bonds4

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

3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one (PubChem CID 62298979) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
PubChem CID62298979
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one
SMILESCCn1c(=O)oc2cc(C(NC)C3CCCO3)ccc21
InChIInChI=1S/C15H20N2O3/c1-3-17-11-7-6-10(9-13(11)20-15(17)18)14(16-2)12-5-4-8-19-12/h6-7,9,12,14,16H,3-5,8H2,1-2H3
InChIKeyQPULOBLUMIRTOW-UHFFFAOYSA-N
XLogP2.05
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one (CID 62298979) is 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one is CCn1c(=O)oc2cc(C(NC)C3CCCO3)ccc21.
What is the InChIKey of 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one?
The InChIKey is QPULOBLUMIRTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-17-11-7-6-10(9-13(11)20-15(17)18)14(16-2)12-5-4-8-19-12/h6-7,9,12,14,16H,3-5,8H2,1-2H3.
What are the key properties of 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one?
3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one has a molecular weight of 276.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-[methylamino(oxolan-2-yl)methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 62298979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).