3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one

C20H23N3O3 — CID 19602648

IUPAC3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(-c2ccc(/C=N/N3CC(CN4CCCC4)OC3=O)o2)cc1
InChIInChI=1S/C20H23N3O3/c1-15-4-6-16(7-5-15)19-9-8-17(25-19)12-21-23-14-18(26-20(23)24)13-22-10-2-3-11-22/h4-9,12,18H,2-3,10-11,13-14H2,1H3/b21-12+
InChIKeyIGVCWEJHUCYTLQ-CIAFOILYSA-N
MW353.42 g/mol
LogP3.51
Rot. Bonds5

About 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one

3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 19602648) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID19602648
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1ccc(-c2ccc(/C=N/N3CC(CN4CCCC4)OC3=O)o2)cc1
InChIInChI=1S/C20H23N3O3/c1-15-4-6-16(7-5-15)19-9-8-17(25-19)12-21-23-14-18(26-20(23)24)13-22-10-2-3-11-22/h4-9,12,18H,2-3,10-11,13-14H2,1H3/b21-12+
InChIKeyIGVCWEJHUCYTLQ-CIAFOILYSA-N
XLogP3.51
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.51
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

(4S)-4-benzyl-3-[(E)-furan-2-ylmethylideneamino]-1,3-oxazolidin-2-one
CID 11288693
Methyl 4-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)butyl]furan-2-yl]benzoate
CID 134946089
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 9932112
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-2-one
CID 9932113
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 15434828
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one
CID 15434830
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
CID 15434831
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[4-(4-methylpiperazin-1-yl)butyl]-1,3-oxazolidin-2-one
CID 15434832
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one;dihydrochloride
CID 19602634
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(3-piperidin-1-ylpropyl)-1,3-oxazolidin-2-one;hydrochloride
CID 19602636
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one;dihydrochloride
CID 19602641
3-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one;hydrochloride
CID 20496107

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one (CID 19602648) is 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one is Cc1ccc(-c2ccc(/C=N/N3CC(CN4CCCC4)OC3=O)o2)cc1.
What is the InChIKey of 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is IGVCWEJHUCYTLQ-CIAFOILYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-4-6-16(7-5-15)19-9-8-17(25-19)12-21-23-14-18(26-20(23)24)13-22-10-2-3-11-22/h4-9,12,18H,2-3,10-11,13-14H2,1H3/b21-12+.
What are the key properties of 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one?
3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 353.42 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[5-(4-methylphenyl)furan-2-yl]methylideneamino]-5-(pyrrolidin-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 19602648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).