2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one

C14H16N2O4 — CID 5308987

IUPAC2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1CC(=O)N1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-13(16-5-7-19-8-6-16)9-12-14(18)15-10-3-1-2-4-11(10)20-12/h1-4,12H,5-9H2,(H,15,18)
InChIKeyCTDPNAIESVNCIL-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.63
Rot. Bonds2

About 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one

2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one (PubChem CID 5308987) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one
PubChem CID5308987
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one
SMILESO=C1Nc2ccccc2OC1CC(=O)N1CCOCC1
InChIInChI=1S/C14H16N2O4/c17-13(16-5-7-19-8-6-16)9-12-14(18)15-10-3-1-2-4-11(10)20-12/h1-4,12H,5-9H2,(H,15,18)
InChIKeyCTDPNAIESVNCIL-UHFFFAOYSA-N
XLogP0.63
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2H-1,4-benzoxazin-3(4H)-one
CID 72757
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
Rwj-69736
CID 9866614
Rwj-38063
CID 9887378
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
4H-Benzo[1,4]oxazin-3-one, 4-(2-morpholin-4-yl-2-oxoethyl)-
CID 758044
N-propyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 31092
2H-1,4-Benzoxazin-3(4H)-one,4-methyl-
CID 89032
2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 301730
(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 2783999
2,3-Dihydro-3-oxo-4H-1,4-benzoxazine-4-propionitrile
CID 4524659
Paraxazone
CID 3047812

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one (CID 5308987) is 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one is O=C1Nc2ccccc2OC1CC(=O)N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one?
The InChIKey is CTDPNAIESVNCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-13(16-5-7-19-8-6-16)9-12-14(18)15-10-3-1-2-4-11(10)20-12/h1-4,12H,5-9H2,(H,15,18).
What are the key properties of 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one?
2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one has a molecular weight of 276.29 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-yl-2-oxoethyl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 5308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).