(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate

C16H19FN2O5 — CID 134116887

IUPAC(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate
SMILESCCCN1C(=O)COc2cc(F)c(OC(=O)N3CCOCC3)cc21
InChIInChI=1S/C16H19FN2O5/c1-2-3-19-12-9-13(11(17)8-14(12)23-10-15(19)20)24-16(21)18-4-6-22-7-5-18/h8-9H,2-7,10H2,1H3
InChIKeyYVAJIHHWXHIAQK-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.79
Rot. Bonds3

About (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate

(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate (PubChem CID 134116887) has the molecular formula C16H19FN2O5 and a molecular weight of 338.34 g/mol. Its IUPAC name is (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate.

Molecular Properties

Compound Name(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate
PubChem CID134116887
Molecular FormulaC16H19FN2O5
Molecular Weight338.34 g/mol
Exact Mass338.13
IUPAC Name(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate
SMILESCCCN1C(=O)COc2cc(F)c(OC(=O)N3CCOCC3)cc21
InChIInChI=1S/C16H19FN2O5/c1-2-3-19-12-9-13(11(17)8-14(12)23-10-15(19)20)24-16(21)18-4-6-22-7-5-18/h8-9H,2-7,10H2,1H3
InChIKeyYVAJIHHWXHIAQK-UHFFFAOYSA-N
XLogP1.79
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

AC-260584
CID 9928284
Fenoxedil
CID 71731
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 7409794
N-(2,5-diethoxyphenyl)-4-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-oxobutanamide
CID 16016709
6-[1-[2-[(2,2-dimethyl-7aH-1-benzofuran-3-yl)oxy]ethyl]piperidin-4-yl]oxy-4H-1,4-benzoxazin-3-one
CID 44391323
N-{1-[3-(6,7-Difluoro-3-oxo-2,3-dihydro-benzo[1,4]oxazin-4-yl)-propyl]-piperidin-4-yl}-propionamide
CID 46930343
methyl 4-[2-(2-fluorophenoxy)propanoyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 16436280
US9604944, 15a (Example 13)
CID 46873288
Fenoxedil hydrochloride
CID 119645
2H-1,4-Benzoxazin-3(4H)-one, 4-(2,3-dihydroxypropyl)-6-methoxy-2-methyl-
CID 3040332
ethyl 4-[3-(3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)propanoyl]piperazine-1-carboxylate
CID 3240504
4-[(2,5-Diethoxy-phenylcarbamoyl)-methyl]-piperazine-1-carboxylic acid ethyl ester
CID 6603397

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate?
The IUPAC name of (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate (CID 134116887) is (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate.
What is the SMILES notation for (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate?
The canonical SMILES for (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate is CCCN1C(=O)COc2cc(F)c(OC(=O)N3CCOCC3)cc21.
What is the InChIKey of (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate?
The InChIKey is YVAJIHHWXHIAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O5/c1-2-3-19-12-9-13(11(17)8-14(12)23-10-15(19)20)24-16(21)18-4-6-22-7-5-18/h8-9H,2-7,10H2,1H3.
What are the key properties of (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate?
(7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate has a molecular weight of 338.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3-oxo-4-propyl-1,4-benzoxazin-6-yl) morpholine-4-carboxylate is sourced from PubChem (CID 134116887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).