1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one

C15H19NO2 — CID 82294745

IUPAC1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/C15H19NO2/c1-9(2)13(17)10-6-7-12-11(8-10)16-14(18-12)15(3,4)5/h6-9H,1-5H3
InChIKeyZCHQRCOORCAXJL-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.96
Rot. Bonds2

About 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one

1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one (PubChem CID 82294745) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
PubChem CID82294745
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc2oc(C(C)(C)C)nc2c1
InChIInChI=1S/C15H19NO2/c1-9(2)13(17)10-6-7-12-11(8-10)16-14(18-12)15(3,4)5/h6-9H,1-5H3
InChIKeyZCHQRCOORCAXJL-UHFFFAOYSA-N
XLogP3.96
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-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 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one (CID 82294745) is 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one is CC(C)C(=O)c1ccc2oc(C(C)(C)C)nc2c1.
What is the InChIKey of 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one?
The InChIKey is ZCHQRCOORCAXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-9(2)13(17)10-6-7-12-11(8-10)16-14(18-12)15(3,4)5/h6-9H,1-5H3.
What are the key properties of 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one?
1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one has a molecular weight of 245.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methylpropan-1-one is sourced from PubChem (CID 82294745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).