2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine

C16H16N2O — CID 62882624

IUPAC2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
SMILESCc1ccc2oc(C(CN)c3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O/c1-11-7-8-15-14(9-11)18-16(19-15)13(10-17)12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3
InChIKeyLBRRKXAEJQADPS-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.23
Rot. Bonds3

About 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine

2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine (PubChem CID 62882624) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
PubChem CID62882624
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine
SMILESCc1ccc2oc(C(CN)c3ccccc3)nc2c1
InChIInChI=1S/C16H16N2O/c1-11-7-8-15-14(9-11)18-16(19-15)13(10-17)12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3
InChIKeyLBRRKXAEJQADPS-UHFFFAOYSA-N
XLogP3.23
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The IUPAC name of 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine (CID 62882624) is 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine is Cc1ccc2oc(C(CN)c3ccccc3)nc2c1.
What is the InChIKey of 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine?
The InChIKey is LBRRKXAEJQADPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-11-7-8-15-14(9-11)18-16(19-15)13(10-17)12-5-3-2-4-6-12/h2-9,13H,10,17H2,1H3.
What are the key properties of 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine?
2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine has a molecular weight of 252.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-benzoxazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 62882624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).