[(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone

C13H18N2O4 — CID 164630630

IUPAC[(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
SMILESO=C(c1onc2c1CCCC2)N1CCO[C@@H](CO)C1
InChIInChI=1S/C13H18N2O4/c16-8-9-7-15(5-6-18-9)13(17)12-10-3-1-2-4-11(10)14-19-12/h9,16H,1-8H2/t9-/m1/s1
InChIKeyDWOIOQZGJZLQMH-SECBINFHSA-N
MW266.30 g/mol
LogP0.39
Rot. Bonds2

About [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone

[(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone (PubChem CID 164630630) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
PubChem CID164630630
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone
SMILESO=C(c1onc2c1CCCC2)N1CCO[C@@H](CO)C1
InChIInChI=1S/C13H18N2O4/c16-8-9-7-15(5-6-18-9)13(17)12-10-3-1-2-4-11(10)14-19-12/h9,16H,1-8H2/t9-/m1/s1
InChIKeyDWOIOQZGJZLQMH-SECBINFHSA-N
XLogP0.39
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The IUPAC name of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone (CID 164630630) is [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone is O=C(c1onc2c1CCCC2)N1CCO[C@@H](CO)C1.
What is the InChIKey of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
The InChIKey is DWOIOQZGJZLQMH-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O4/c16-8-9-7-15(5-6-18-9)13(17)12-10-3-1-2-4-11(10)14-19-12/h9,16H,1-8H2/t9-/m1/s1.
What are the key properties of [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone?
[(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone has a molecular weight of 266.30 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(hydroxymethyl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)methanone is sourced from PubChem (CID 164630630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).