5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one

C14H16N2O4 — CID 2811792

IUPAC5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C14H16N2O4/c1-10-2-3-12-11(8-10)16(14(18)20-12)9-13(17)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyLOCLOKMMEJAJNR-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.76
Rot. Bonds2

About 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one

5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one (PubChem CID 2811792) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
PubChem CID2811792
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one
SMILESCc1ccc2oc(=O)n(CC(=O)N3CCOCC3)c2c1
InChIInChI=1S/C14H16N2O4/c1-10-2-3-12-11(8-10)16(14(18)20-12)9-13(17)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyLOCLOKMMEJAJNR-UHFFFAOYSA-N
XLogP0.76
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The IUPAC name of 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one (CID 2811792) is 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one is Cc1ccc2oc(=O)n(CC(=O)N3CCOCC3)c2c1.
What is the InChIKey of 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
The InChIKey is LOCLOKMMEJAJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-10-2-3-12-11(8-10)16(14(18)20-12)9-13(17)15-4-6-19-7-5-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one?
5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one has a molecular weight of 276.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 2811792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).