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

C22H26ClN3O3 — CID 15434830

IUPAC3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCCN2CCCCC2)CN1/N=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H26ClN3O3/c23-18-8-6-17(7-9-18)21-11-10-19(28-21)15-24-26-16-20(29-22(26)27)5-4-14-25-12-2-1-3-13-25/h6-11,15,20H,1-5,12-14,16H2/b24-15+
InChIKeyFAERPGUAVOAQSN-BUVRLJJBSA-N
MW415.92 g/mol
LogP5.02
Rot. Bonds7

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

3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one (PubChem CID 15434830) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
PubChem CID15434830
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CCCN2CCCCC2)CN1/N=C/c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C22H26ClN3O3/c23-18-8-6-17(7-9-18)21-11-10-19(28-21)15-24-26-16-20(29-22(26)27)5-4-14-25-12-2-1-3-13-25/h6-11,15,20H,1-5,12-14,16H2/b24-15+
InChIKeyFAERPGUAVOAQSN-BUVRLJJBSA-N
XLogP5.02
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.92
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Azimilide
CID 9571004
Azimilide Dihydrochloride
CID 9571003
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione;hydrochloride
CID 18004024
1-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 60939
NE 10133
CID 9578250
4-(3-(5-(4-Chlorophenyl)-2-furyl)propanoyl)morpholine
CID 24212548
1-(5-(3-chlorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-3-morpholinopropan-1-one
CID 71779743
3-[[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
CID 53788560
1-((5-(p-Chlorophenyl)furfurylidene)amino)-3-(4-(4-methyl-1-piperazinyl)butyl)hydantoin dihydrochloride
CID 60938
1-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-3-[4-(4-methylpiperazin-1-yl)butyl]imidazolidine-2,4-dione
CID 6324604
(Z)-1-[5-[4-chloro-3-(trifluoromethyl)phenyl]furan-2-yl]-N-morpholin-4-ylmethanimine
CID 9216842
1-[[[5-(4-Chlorophenyl)-2-furanyl]methylene]amino]-3-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-2,4-imidazolidinedione Dihydrochloride
CID 192455

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one (CID 15434830) is 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one is O=C1OC(CCCN2CCCCC2)CN1/N=C/c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is FAERPGUAVOAQSN-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c23-18-8-6-17(7-9-18)21-11-10-19(28-21)15-24-26-16-20(29-22(26)27)5-4-14-25-12-2-1-3-13-25/h6-11,15,20H,1-5,12-14,16H2/b24-15+.
What are the key properties of 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one?
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 415.92 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 15434830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).