1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine

C12H16N2O2 — CID 117314422

IUPAC1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine
SMILESCOc1nc2c(CC(C)(C)N)cccc2o1
InChIInChI=1S/C12H16N2O2/c1-12(2,13)7-8-5-4-6-9-10(8)14-11(15-3)16-9/h4-6H,7,13H2,1-3H3
InChIKeyOKVDTHZFIXCXKH-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine

1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine (PubChem CID 117314422) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine
PubChem CID117314422
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine
SMILESCOc1nc2c(CC(C)(C)N)cccc2o1
InChIInChI=1S/C12H16N2O2/c1-12(2,13)7-8-5-4-6-9-10(8)14-11(15-3)16-9/h4-6H,7,13H2,1-3H3
InChIKeyOKVDTHZFIXCXKH-UHFFFAOYSA-N
XLogP2.12
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine (CID 117314422) is 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine is COc1nc2c(CC(C)(C)N)cccc2o1.
What is the InChIKey of 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine?
The InChIKey is OKVDTHZFIXCXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2,13)7-8-5-4-6-9-10(8)14-11(15-3)16-9/h4-6H,7,13H2,1-3H3.
What are the key properties of 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine?
1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine has a molecular weight of 220.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-1,3-benzoxazol-4-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 117314422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).