3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

C16H19N3O5 — CID 10382156

IUPAC3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCOCC2)CN1/N=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O5/c20-16-19(10-13(24-16)9-18-3-5-21-6-4-18)17-8-12-1-2-14-15(7-12)23-11-22-14/h1-2,7-8,13H,3-6,9-11H2/b17-8+
InChIKeyIOOVAPVPZQHGSB-CAOOACKPSA-N
MW333.34 g/mol
LogP0.90
Rot. Bonds4

About 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one

3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10382156) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10382156
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCOCC2)CN1/N=C/c1ccc2c(c1)OCO2
InChIInChI=1S/C16H19N3O5/c20-16-19(10-13(24-16)9-18-3-5-21-6-4-18)17-8-12-1-2-14-15(7-12)23-11-22-14/h1-2,7-8,13H,3-6,9-11H2/b17-8+
InChIKeyIOOVAPVPZQHGSB-CAOOACKPSA-N
XLogP0.90
TPSA72.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-5-(morpholin-4-ylmethyl)-3-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride
CID 6321391
2-(1,3-benzodioxol-5-ylmethylidene)-6-(morpholin-4-ylmethyl)cyclohexan-1-one
CID 3053410
1-(1,3-benzodioxol-5-yl)-N-piperidin-1-ylmethanimine
CID 714703
4-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 5349519
(E)-1-(1,3-benzodioxol-5-yl)-N-(4-methylpiperazin-1-yl)methanimine
CID 6894202
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(morpholin-4-ylmethyl)-1,3-thiazolidine-2,4-dione
CID 6123244
(1R,2S,6S,7R)-4-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 23307017
(3aR,4S,7S,7aR)-2-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98367211
5-[[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]methyl]-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 15158332
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
2-N,4-N-bis[(E)-1,3-benzodioxol-5-ylmethylideneamino]-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 169448282
2-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzoxazin-4-amine
CID 54487433

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one (CID 10382156) is 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(CN2CCOCC2)CN1/N=C/c1ccc2c(c1)OCO2.
What is the InChIKey of 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is IOOVAPVPZQHGSB-CAOOACKPSA-N. The full InChI is InChI=1S/C16H19N3O5/c20-16-19(10-13(24-16)9-18-3-5-21-6-4-18)17-8-12-1-2-14-15(7-12)23-11-22-14/h1-2,7-8,13H,3-6,9-11H2/b17-8+.
What are the key properties of 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one?
3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 333.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10382156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).