2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine

C12H15ClN2O — CID 83898302

IUPAC2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine
SMILESCC(C)c1nc2cc(Cl)c(CCN)cc2o1
InChIInChI=1S/C12H15ClN2O/c1-7(2)12-15-10-6-9(13)8(3-4-14)5-11(10)16-12/h5-7H,3-4,14H2,1-2H3
InChIKeyBNSTYAJXUWOLDI-UHFFFAOYSA-N
MW238.72 g/mol
LogP3.11
Rot. Bonds3

About 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine

2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine (PubChem CID 83898302) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine
PubChem CID83898302
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine
SMILESCC(C)c1nc2cc(Cl)c(CCN)cc2o1
InChIInChI=1S/C12H15ClN2O/c1-7(2)12-15-10-6-9(13)8(3-4-14)5-11(10)16-12/h5-7H,3-4,14H2,1-2H3
InChIKeyBNSTYAJXUWOLDI-UHFFFAOYSA-N
XLogP3.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine?
The IUPAC name of 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine (CID 83898302) is 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine.
What is the SMILES notation for 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine?
The canonical SMILES for 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine is CC(C)c1nc2cc(Cl)c(CCN)cc2o1.
What is the InChIKey of 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine?
The InChIKey is BNSTYAJXUWOLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7(2)12-15-10-6-9(13)8(3-4-14)5-11(10)16-12/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine?
2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine has a molecular weight of 238.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-propan-2-yl-1,3-benzoxazol-6-yl)ethanamine is sourced from PubChem (CID 83898302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).