6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one

C19H18N2O4 — CID 127024980

IUPAC6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one
SMILESO=c1nc(N2CCOCC2)oc2ccc(-c3ccc(CO)cc3)cc12
InChIInChI=1S/C19H18N2O4/c22-12-13-1-3-14(4-2-13)15-5-6-17-16(11-15)18(23)20-19(25-17)21-7-9-24-10-8-21/h1-6,11,22H,7-10,12H2
InChIKeyAAIXYPOZIAZTIV-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.18
Rot. Bonds3

About 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one

6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one (PubChem CID 127024980) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one.

Molecular Properties

Compound Name6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one
PubChem CID127024980
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one
SMILESO=c1nc(N2CCOCC2)oc2ccc(-c3ccc(CO)cc3)cc12
InChIInChI=1S/C19H18N2O4/c22-12-13-1-3-14(4-2-13)15-5-6-17-16(11-15)18(23)20-19(25-17)21-7-9-24-10-8-21/h1-6,11,22H,7-10,12H2
InChIKeyAAIXYPOZIAZTIV-UHFFFAOYSA-N
XLogP2.18
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one?
The IUPAC name of 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one (CID 127024980) is 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one.
What is the SMILES notation for 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one?
The canonical SMILES for 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one is O=c1nc(N2CCOCC2)oc2ccc(-c3ccc(CO)cc3)cc12.
What is the InChIKey of 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one?
The InChIKey is AAIXYPOZIAZTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-12-13-1-3-14(4-2-13)15-5-6-17-16(11-15)18(23)20-19(25-17)21-7-9-24-10-8-21/h1-6,11,22H,7-10,12H2.
What are the key properties of 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one?
6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one has a molecular weight of 338.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(hydroxymethyl)phenyl]-2-morpholin-4-yl-1,3-benzoxazin-4-one is sourced from PubChem (CID 127024980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).