1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone

C14H18N2O2 — CID 117368327

IUPAC1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)13-16-10-7-9(11(17)8-15-4)5-6-12(10)18-13/h5-7,15H,8H2,1-4H3
InChIKeyFFADYMIUYLZSJO-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.53
Rot. Bonds3

About 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone

1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone (PubChem CID 117368327) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone
PubChem CID117368327
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/C14H18N2O2/c1-14(2,3)13-16-10-7-9(11(17)8-15-4)5-6-12(10)18-13/h5-7,15H,8H2,1-4H3
InChIKeyFFADYMIUYLZSJO-UHFFFAOYSA-N
XLogP2.53
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone (CID 117368327) is 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone is CNCC(=O)c1ccc2oc(C(C)(C)C)nc2c1.
What is the InChIKey of 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone?
The InChIKey is FFADYMIUYLZSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)13-16-10-7-9(11(17)8-15-4)5-6-12(10)18-13/h5-7,15H,8H2,1-4H3.
What are the key properties of 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone?
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone has a molecular weight of 246.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-(methylamino)ethanone is sourced from PubChem (CID 117368327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).