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

C15H22N2O — CID 81072191

IUPAC3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1nc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C15H22N2O/c1-10(9-16)7-14-17-12-8-11(15(2,3)4)5-6-13(12)18-14/h5-6,8,10H,7,9,16H2,1-4H3
InChIKeyQUYSGIATDGXMDP-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.26
Rot. Bonds3

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

3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (PubChem CID 81072191) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
PubChem CID81072191
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1nc2cc(C(C)(C)C)ccc2o1
InChIInChI=1S/C15H22N2O/c1-10(9-16)7-14-17-12-8-11(15(2,3)4)5-6-13(12)18-14/h5-6,8,10H,7,9,16H2,1-4H3
InChIKeyQUYSGIATDGXMDP-UHFFFAOYSA-N
XLogP3.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (CID 81072191) is 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is CC(CN)Cc1nc2cc(C(C)(C)C)ccc2o1.
What is the InChIKey of 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is QUYSGIATDGXMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-10(9-16)7-14-17-12-8-11(15(2,3)4)5-6-13(12)18-14/h5-6,8,10H,7,9,16H2,1-4H3.
What are the key properties of 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 81072191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).