3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

C16H20N2O4 — CID 3860372

IUPAC3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(C(=O)C=Cc3ccco3)CC2)C(=O)O1
InChIInChI=1S/C16H20N2O4/c1-12-11-18(16(20)22-12)13-6-8-17(9-7-13)15(19)5-4-14-3-2-10-21-14/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyTWNXTYSIPQOADP-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.12
Rot. Bonds3

About 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 3860372) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID3860372
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(C2CCN(C(=O)C=Cc3ccco3)CC2)C(=O)O1
InChIInChI=1S/C16H20N2O4/c1-12-11-18(16(20)22-12)13-6-8-17(9-7-13)15(19)5-4-14-3-2-10-21-14/h2-5,10,12-13H,6-9,11H2,1H3
InChIKeyTWNXTYSIPQOADP-UHFFFAOYSA-N
XLogP2.12
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(furan-2-yl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 124892451
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperidin-1-yl)prop-2-en-1-one
CID 71805643
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
1-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 171136822
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276
(E)-3-(furan-2-yl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 112627186
methyl 1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylate
CID 78968036
3-(furan-2-yl)-1-[4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 171136537
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 171136536
2-[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]acetic acid
CID 77104443
(E)-1-(3-aminopiperidin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 82234987

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (CID 3860372) is 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(C2CCN(C(=O)C=Cc3ccco3)CC2)C(=O)O1.
What is the InChIKey of 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is TWNXTYSIPQOADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-12-11-18(16(20)22-12)13-6-8-17(9-7-13)15(19)5-4-14-3-2-10-21-14/h2-5,10,12-13H,6-9,11H2,1H3.
What are the key properties of 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 304.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3860372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).