3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

C21H24N2O4 — CID 23763355

IUPAC3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1cc(C(=O)N2CCC(N3CC(c4ccccc4)OC3=O)CC2)c(C)o1
InChIInChI=1S/C21H24N2O4/c1-14-12-18(15(2)26-14)20(24)22-10-8-17(9-11-22)23-13-19(27-21(23)25)16-6-4-3-5-7-16/h3-7,12,17,19H,8-11,13H2,1-2H3
InChIKeyGQNYTRORKQFTPE-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.69
Rot. Bonds3

About 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one

3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 23763355) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
PubChem CID23763355
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
SMILESCc1cc(C(=O)N2CCC(N3CC(c4ccccc4)OC3=O)CC2)c(C)o1
InChIInChI=1S/C21H24N2O4/c1-14-12-18(15(2)26-14)20(24)22-10-8-17(9-11-22)23-13-19(27-21(23)25)16-6-4-3-5-7-16/h3-7,12,17,19H,8-11,13H2,1-2H3
InChIKeyGQNYTRORKQFTPE-UHFFFAOYSA-N
XLogP3.69
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3703063
(2,5-dimethylfuran-3-yl)-[(7S)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903831
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
3-[1-[3-methyl-5-(phenoxymethyl)-1,2-oxazole-4-carbonyl]piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 3820511
5-phenyl-3-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3576442
1-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-(methylsulfonylmethyl)pyrrolidin-2-one
CID 126899960
ethyl 6-[[4-(2-oxo-5-phenyl-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]amino]hexanoate
CID 3847843
5-phenyl-3-[1-(2-pyridin-4-yl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 23761134
5-phenyl-3-[1-[3-(2-phenylethenylsulfanyl)propanoyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3811625
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 4982859
(2,5-dimethylfuran-3-yl)-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 24981685
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one (CID 23763355) is 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is Cc1cc(C(=O)N2CCC(N3CC(c4ccccc4)OC3=O)CC2)c(C)o1.
What is the InChIKey of 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is GQNYTRORKQFTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-14-12-18(15(2)26-14)20(24)22-10-8-17(9-11-22)23-13-19(27-21(23)25)16-6-4-3-5-7-16/h3-7,12,17,19H,8-11,13H2,1-2H3.
What are the key properties of 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one?
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 368.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23763355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).