6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one

C15H20N2O4 — CID 11011781

IUPAC6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCC(C(O)c1ccc2c(c1)oc(=O)n2C)N1CCOCC1
InChIInChI=1S/C15H20N2O4/c1-10(17-5-7-20-8-6-17)14(18)11-3-4-12-13(9-11)21-15(19)16(12)2/h3-4,9-10,14,18H,5-8H2,1-2H3
InChIKeyAEPRKIMKKJWEAV-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.89
Rot. Bonds3

About 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one

6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one (PubChem CID 11011781) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
PubChem CID11011781
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one
SMILESCC(C(O)c1ccc2c(c1)oc(=O)n2C)N1CCOCC1
InChIInChI=1S/C15H20N2O4/c1-10(17-5-7-20-8-6-17)14(18)11-3-4-12-13(9-11)21-15(19)16(12)2/h3-4,9-10,14,18H,5-8H2,1-2H3
InChIKeyAEPRKIMKKJWEAV-UHFFFAOYSA-N
XLogP0.89
TPSA67.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one (CID 11011781) is 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one is CC(C(O)c1ccc2c(c1)oc(=O)n2C)N1CCOCC1.
What is the InChIKey of 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is AEPRKIMKKJWEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10(17-5-7-20-8-6-17)14(18)11-3-4-12-13(9-11)21-15(19)16(12)2/h3-4,9-10,14,18H,5-8H2,1-2H3.
What are the key properties of 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one?
6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 292.33 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxy-2-morpholin-4-ylpropyl)-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 11011781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).