4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one

C18H18N4O4 — CID 123988406

IUPAC4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILES[H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCC3COC(=O)N3)cc2)nc1
InChIInChI=1S/C18H18N4O4/c19-8-7-16(20)12-1-6-17(21-9-12)26-15-4-2-14(3-5-15)24-10-13-11-25-18(23)22-13/h1-6,8-9,13,19-20H,7,10-11H2,(H,22,23)/b19-8+,20-16+
InChIKeySOCUIWONWCKNMO-TWZCYFAISA-N
MW354.37 g/mol
LogP2.77
Rot. Bonds8

About 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one

4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one (PubChem CID 123988406) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one
PubChem CID123988406
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one
SMILES[H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCC3COC(=O)N3)cc2)nc1
InChIInChI=1S/C18H18N4O4/c19-8-7-16(20)12-1-6-17(21-9-12)26-15-4-2-14(3-5-15)24-10-13-11-25-18(23)22-13/h1-6,8-9,13,19-20H,7,10-11H2,(H,22,23)/b19-8+,20-16+
InChIKeySOCUIWONWCKNMO-TWZCYFAISA-N
XLogP2.77
TPSA117.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-[4-(morpholin-3-ylmethoxy)phenoxy]-3-pyridinyl]propane-1,3-diimine
CID 123728949
1-[4-[4-(1,3-thiazol-5-ylmethoxy)phenoxy]phenyl]propane-1,3-diimine
CID 123835373
(5S)-5-[[4-[[5-(1H-pyrazol-5-yl)-2-pyridinyl]oxy]phenoxy]methyl]pyrrolidin-2-one
CID 71227408
[(4S)-2-oxo-1,3-oxazolidin-4-yl]methyl 3-[6-(2-chlorophenoxy)-3-pyridinyl]azetidine-1-carboxylate
CID 162745775
oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate
CID 78888195
4-(6-methoxy-3-pyridinyl)-1,3-oxazolidin-2-one
CID 114938799
ethyl 6-(4-fluorophenoxy)pyridine-3-carboxylate
CID 23149051
6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboximidamide
CID 43150626
6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde
CID 118113115
6-(4-hydroxyphenoxy)pyridine-3-carboxamide
CID 60868756
N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide
CID 166270764
6-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]pyridine-3-carboxamide
CID 146325556

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one (CID 123988406) is 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one is [H]/N=C/C/C(=N\[H])c1ccc(Oc2ccc(OCC3COC(=O)N3)cc2)nc1.
What is the InChIKey of 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one?
The InChIKey is SOCUIWONWCKNMO-TWZCYFAISA-N. The full InChI is InChI=1S/C18H18N4O4/c19-8-7-16(20)12-1-6-17(21-9-12)26-15-4-2-14(3-5-15)24-10-13-11-25-18(23)22-13/h1-6,8-9,13,19-20H,7,10-11H2,(H,22,23)/b19-8+,20-16+.
What are the key properties of 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one?
4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one has a molecular weight of 354.37 g/mol, XLogP of 2.77, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[5-(3-iminopropanimidoyl)-2-pyridinyl]oxy]phenoxy]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 123988406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).