ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide

C18H29N3O6 — CID 144658188

IUPACethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide
SMILESC/C=C(\C=C/CN1CCOCC1=O)N1CC(CNC=O)OC1=O.C=O.CC
InChIInChI=1S/C15H21N3O5.C2H6.CH2O/c1-2-12(4-3-5-17-6-7-22-10-14(17)20)18-9-13(8-16-11-19)23-15(18)21;2*1-2/h2-4,11,13H,5-10H2,1H3,(H,16,19);1-2H3;1H2/b4-3-,12-2+;;
InChIKeyBWYACXFPQBIBOU-CGASNGTHSA-N
MW383.45 g/mol
LogP0.71
Rot. Bonds7

About ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide

ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide (PubChem CID 144658188) has the molecular formula C18H29N3O6 and a molecular weight of 383.45 g/mol. Its IUPAC name is ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide.

Molecular Properties

Compound Nameethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide
PubChem CID144658188
Molecular FormulaC18H29N3O6
Molecular Weight383.45 g/mol
Exact Mass383.21
IUPAC Nameethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide
SMILESC/C=C(\C=C/CN1CCOCC1=O)N1CC(CNC=O)OC1=O.C=O.CC
InChIInChI=1S/C15H21N3O5.C2H6.CH2O/c1-2-12(4-3-5-17-6-7-22-10-14(17)20)18-9-13(8-16-11-19)23-15(18)21;2*1-2/h2-4,11,13H,5-10H2,1H3,(H,16,19);1-2H3;1H2/b4-3-,12-2+;;
InChIKeyBWYACXFPQBIBOU-CGASNGTHSA-N
XLogP0.71
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide with MolForge

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Related Compounds

5-methyl-3-[(2Z,4E)-4-(2-oxo-1,3-oxazolidin-3-yl)hexa-2,4-dienyl]-1,3-oxazolidin-2-one
CID 142150294
3-[(2E,4Z)-6-(1,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[c]pyridin-2-yl)hepta-2,4,6-trien-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 142162034
O-methyl N-[[3-(5-methylhepta-2,4,6-trien-3-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 90989375
ethene;4-[(E)-2-ethenylbut-2-enyl]morpholin-3-one
CID 143371911
4-[4-[5-[(hydroxymethylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 122625984
acetylene;ethane;4-propylmorpholin-3-one
CID 142466574
4-(3-methylbutyl)morpholin-3-one
CID 58222536
4-(2,2-dimethylpropyl)morpholin-3-one
CID 59172197
4-[2-hydroxy-3-(2-methylpropylamino)propyl]morpholin-3-one
CID 115475838
ethane;N-[[3-[3-fluoro-4-(2,2,6,6-tetrahydroxymorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 145494793
4-[4-[5-[(benzylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 71272776
5-(bromomethyl)-3-[(2E,5Z)-octa-2,5,7-trien-2-yl]-1,3-oxazolidin-2-one;ethane
CID 143838433

Frequently Asked Questions

What is the IUPAC name of ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide?
The IUPAC name of ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide (CID 144658188) is ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide.
What is the SMILES notation for ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide?
The canonical SMILES for ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide is C/C=C(\C=C/CN1CCOCC1=O)N1CC(CNC=O)OC1=O.C=O.CC.
What is the InChIKey of ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide?
The InChIKey is BWYACXFPQBIBOU-CGASNGTHSA-N. The full InChI is InChI=1S/C15H21N3O5.C2H6.CH2O/c1-2-12(4-3-5-17-6-7-22-10-14(17)20)18-9-13(8-16-11-19)23-15(18)21;2*1-2/h2-4,11,13H,5-10H2,1H3,(H,16,19);1-2H3;1H2/b4-3-,12-2+;;.
What are the key properties of ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide?
ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide has a molecular weight of 383.45 g/mol, XLogP of 0.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formaldehyde;N-[[2-oxo-3-[(2E,4Z)-6-(3-oxomorpholin-4-yl)hexa-2,4-dien-3-yl]-1,3-oxazolidin-5-yl]methyl]formamide is sourced from PubChem (CID 144658188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).