1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide

C14H16N2O5 — CID 134924177

IUPAC1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide
SMILESCOc1ccc(/C=[N+](\[O-])CCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C14H16N2O5/c1-20-12-4-2-11(3-5-12)10-15(19)7-6-13(17)16-8-9-21-14(16)18/h2-5,10H,6-9H2,1H3/b15-10-
InChIKeyDZHGYNZUDFUOIO-GDNBJRDFSA-N
MW292.29 g/mol
LogP0.99
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide

1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide (PubChem CID 134924177) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide
PubChem CID134924177
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide
SMILESCOc1ccc(/C=[N+](\[O-])CCC(=O)N2CCOC2=O)cc1
InChIInChI=1S/C14H16N2O5/c1-20-12-4-2-11(3-5-12)10-15(19)7-6-13(17)16-8-9-21-14(16)18/h2-5,10H,6-9H2,1H3/b15-10-
InChIKeyDZHGYNZUDFUOIO-GDNBJRDFSA-N
XLogP0.99
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-methoxyphenyl)propanoyl]-1,3-oxazolidin-2-one
CID 143433402
3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 6070620
3-[2-(4-methoxy-2-nitrophenoxy)acetyl]-1,3-oxazolidin-2-one
CID 8880784
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 8648318
methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 12032170
3-[2-(3,5-dimethoxyphenyl)acetyl]-1,3-oxazolidin-2-one;propane
CID 144585780
3-[(E)-hex-4-enoyl]-1,3-oxazolidin-2-one
CID 15502915
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 8888348
1,3-bis[3-(4-methoxyphenyl)propanoyl]imidazolidin-2-one
CID 102045392
4-[(E)-2-(4-methoxyphenyl)-3-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)hept-1-enyl]benzonitrile
CID 166174320
sodium (4-methoxyphenyl)methylidene-dioxidoazanium
CID 53304439
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]butane-1,4-dione
CID 56567469

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide (CID 134924177) is 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide is COc1ccc(/C=[N+](\[O-])CCC(=O)N2CCOC2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide?
The InChIKey is DZHGYNZUDFUOIO-GDNBJRDFSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-20-12-4-2-11(3-5-12)10-15(19)7-6-13(17)16-8-9-21-14(16)18/h2-5,10H,6-9H2,1H3/b15-10-.
What are the key properties of 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide?
1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide has a molecular weight of 292.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)propyl]methanimine oxide is sourced from PubChem (CID 134924177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).