3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine

C17H18N2O2 — CID 102696662

IUPAC3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
SMILESCOc1ccc2oc(CCC(N)c3ccccc3)nc2c1
InChIInChI=1S/C17H18N2O2/c1-20-13-7-9-16-15(11-13)19-17(21-16)10-8-14(18)12-5-3-2-4-6-12/h2-7,9,11,14H,8,10,18H2,1H3
InChIKeyLUPNLMMLMZFVNM-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.47
Rot. Bonds5

About 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine

3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine (PubChem CID 102696662) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
PubChem CID102696662
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine
SMILESCOc1ccc2oc(CCC(N)c3ccccc3)nc2c1
InChIInChI=1S/C17H18N2O2/c1-20-13-7-9-16-15(11-13)19-17(21-16)10-8-14(18)12-5-3-2-4-6-12/h2-7,9,11,14H,8,10,18H2,1H3
InChIKeyLUPNLMMLMZFVNM-UHFFFAOYSA-N
XLogP3.47
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine?
The IUPAC name of 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine (CID 102696662) is 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine?
The canonical SMILES for 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine is COc1ccc2oc(CCC(N)c3ccccc3)nc2c1.
What is the InChIKey of 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine?
The InChIKey is LUPNLMMLMZFVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-20-13-7-9-16-15(11-13)19-17(21-16)10-8-14(18)12-5-3-2-4-6-12/h2-7,9,11,14H,8,10,18H2,1H3.
What are the key properties of 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine?
3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine has a molecular weight of 282.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-1,3-benzoxazol-2-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 102696662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).