2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine

C21H25N3O2 — CID 95198280

IUPAC2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine
SMILESCc1oc(-c2ccc3ccccc3c2)nc1CN1CCO[C@H](CCN)C1
InChIInChI=1S/C21H25N3O2/c1-15-20(14-24-10-11-25-19(13-24)8-9-22)23-21(26-15)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12,19H,8-11,13-14,22H2,1H3/t19-/m1/s1
InChIKeyRRWJEHZPKOZIPI-LJQANCHMSA-N
MW351.45 g/mol
LogP3.35
Rot. Bonds5

About 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine

2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine (PubChem CID 95198280) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine
PubChem CID95198280
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine
SMILESCc1oc(-c2ccc3ccccc3c2)nc1CN1CCO[C@H](CCN)C1
InChIInChI=1S/C21H25N3O2/c1-15-20(14-24-10-11-25-19(13-24)8-9-22)23-21(26-15)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12,19H,8-11,13-14,22H2,1H3/t19-/m1/s1
InChIKeyRRWJEHZPKOZIPI-LJQANCHMSA-N
XLogP3.35
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine?
The IUPAC name of 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine (CID 95198280) is 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine?
The canonical SMILES for 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine is Cc1oc(-c2ccc3ccccc3c2)nc1CN1CCO[C@H](CCN)C1.
What is the InChIKey of 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine?
The InChIKey is RRWJEHZPKOZIPI-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-20(14-24-10-11-25-19(13-24)8-9-22)23-21(26-15)18-7-6-16-4-2-3-5-17(16)12-18/h2-7,12,19H,8-11,13-14,22H2,1H3/t19-/m1/s1.
What are the key properties of 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine?
2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine has a molecular weight of 351.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)methyl]morpholin-2-yl]ethanamine is sourced from PubChem (CID 95198280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).