3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

C20H23ClN4O3 — CID 15434828

IUPAC3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(CC2CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)CC1
InChIInChI=1S/C20H23ClN4O3/c1-23-8-10-24(11-9-23)13-18-14-25(20(26)28-18)22-12-17-6-7-19(27-17)15-2-4-16(21)5-3-15/h2-7,12,18H,8-11,13-14H2,1H3/b22-12+
InChIKeyMYGMKSJZXXLNMQ-WSDLNYQXSA-N
MW402.88 g/mol
LogP3.00
Rot. Bonds5

About 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 15434828) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID15434828
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(CC2CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)CC1
InChIInChI=1S/C20H23ClN4O3/c1-23-8-10-24(11-9-23)13-18-14-25(20(26)28-18)22-12-17-6-7-19(27-17)15-2-4-16(21)5-3-15/h2-7,12,18H,8-11,13-14H2,1H3/b22-12+
InChIKeyMYGMKSJZXXLNMQ-WSDLNYQXSA-N
XLogP3.00
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 15434828) is 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is CN1CCN(CC2CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)CC1.
What is the InChIKey of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is MYGMKSJZXXLNMQ-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-23-8-10-24(11-9-23)13-18-14-25(20(26)28-18)22-12-17-6-7-19(27-17)15-2-4-16(21)5-3-15/h2-7,12,18H,8-11,13-14H2,1H3/b22-12+.
What are the key properties of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 402.88 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15434828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).