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

C22H27ClN4O3 — CID 15434831

IUPAC3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(CCCC2CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)CC1
InChIInChI=1S/C22H27ClN4O3/c1-25-11-13-26(14-12-25)10-2-3-20-16-27(22(28)30-20)24-15-19-8-9-21(29-19)17-4-6-18(23)7-5-17/h4-9,15,20H,2-3,10-14,16H2,1H3/b24-15+
InChIKeyFWSRMVZLMPFLJI-BUVRLJJBSA-N
MW430.94 g/mol
LogP3.78
Rot. Bonds7

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

3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one (PubChem CID 15434831) has the molecular formula C22H27ClN4O3 and a molecular weight of 430.94 g/mol. Its IUPAC name is 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
PubChem CID15434831
Molecular FormulaC22H27ClN4O3
Molecular Weight430.94 g/mol
Exact Mass430.18
IUPAC Name3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(CCCC2CN(/N=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)O2)CC1
InChIInChI=1S/C22H27ClN4O3/c1-25-11-13-26(14-12-25)10-2-3-20-16-27(22(28)30-20)24-15-19-8-9-21(29-19)17-4-6-18(23)7-5-17/h4-9,15,20H,2-3,10-14,16H2,1H3/b24-15+
InChIKeyFWSRMVZLMPFLJI-BUVRLJJBSA-N
XLogP3.78
TPSA61.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one (CID 15434831) is 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one is CN1CCN(CCCC2CN(/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-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The InChIKey is FWSRMVZLMPFLJI-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H27ClN4O3/c1-25-11-13-26(14-12-25)10-2-3-20-16-27(22(28)30-20)24-15-19-8-9-21(29-19)17-4-6-18(23)7-5-17/h4-9,15,20H,2-3,10-14,16H2,1H3/b24-15+.
What are the key properties of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one has a molecular weight of 430.94 g/mol, XLogP of 3.78, 7 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-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 15434831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).