3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

C23H25N3O7 — CID 144812291

IUPAC3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
SMILESCNC(=O)c1cccc(OC)c1.O=C1COCCN1c1ccc2c(c1)OCC1COC(=O)N21
InChIInChI=1S/C14H14N2O5.C9H11NO2/c17-13-8-19-4-3-15(13)9-1-2-11-12(5-9)20-6-10-7-21-14(18)16(10)11;1-10-9(11)7-4-3-5-8(6-7)12-2/h1-2,5,10H,3-4,6-8H2;3-6H,1-2H3,(H,10,11)
InChIKeyBJLJTFIIRWKGLX-UHFFFAOYSA-N
MW455.47 g/mol
LogP1.82
Rot. Bonds3

About 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one

3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (PubChem CID 144812291) has the molecular formula C23H25N3O7 and a molecular weight of 455.47 g/mol. Its IUPAC name is 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one.

Molecular Properties

Compound Name3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
PubChem CID144812291
Molecular FormulaC23H25N3O7
Molecular Weight455.47 g/mol
Exact Mass455.17
IUPAC Name3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
SMILESCNC(=O)c1cccc(OC)c1.O=C1COCCN1c1ccc2c(c1)OCC1COC(=O)N21
InChIInChI=1S/C14H14N2O5.C9H11NO2/c17-13-8-19-4-3-15(13)9-1-2-11-12(5-9)20-6-10-7-21-14(18)16(10)11;1-10-9(11)7-4-3-5-8(6-7)12-2/h1-2,5,10H,3-4,6-8H2;3-6H,1-2H3,(H,10,11)
InChIKeyBJLJTFIIRWKGLX-UHFFFAOYSA-N
XLogP1.82
TPSA106.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxylic acid
CID 123824235
(3R,3aR)-3-(hydroxymethyl)-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
CID 90295587
methyl 3-(3-oxomorpholin-4-yl)benzoate
CID 165482126
(3R,3aR)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one
CID 90295553
3-methoxy-N-(morpholine-4-carbothioyl)benzamide
CID 5372118
2-[(3R,3aR)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]ethanesulfonic acid
CID 118519595
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
7-chloro-N-[[1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methyl]-1-benzothiophene-2-carboxamide
CID 123199036
N-[[(3S,3aS)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methyl]-4-chloro-1-benzothiophene-2-carboxamide
CID 118519581
N-(5-chlorothiophen-2-yl)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazine-3-carboxamide
CID 123666501
2-methoxy-4-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756333
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The IUPAC name of 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one (CID 144812291) is 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one.
What is the SMILES notation for 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The canonical SMILES for 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is CNC(=O)c1cccc(OC)c1.O=C1COCCN1c1ccc2c(c1)OCC1COC(=O)N21.
What is the InChIKey of 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
The InChIKey is BJLJTFIIRWKGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5.C9H11NO2/c17-13-8-19-4-3-15(13)9-1-2-11-12(5-9)20-6-10-7-21-14(18)16(10)11;1-10-9(11)7-4-3-5-8(6-7)12-2/h1-2,5,10H,3-4,6-8H2;3-6H,1-2H3,(H,10,11).
What are the key properties of 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one?
3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one has a molecular weight of 455.47 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methylbenzamide;7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-1-one is sourced from PubChem (CID 144812291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).