4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one

C17H28N2O4 — CID 23594734

IUPAC4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CCC(CC1COC(C)(C)N1C)C(=O)N1C(=O)OCC1CC
InChIInChI=1S/C17H28N2O4/c1-6-8-12(9-14-11-23-17(3,4)18(14)5)15(20)19-13(7-2)10-22-16(19)21/h6,12-14H,1,7-11H2,2-5H3
InChIKeyWRSRJHOFZZNVPC-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.39
Rot. Bonds6

About 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one

4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 23594734) has the molecular formula C17H28N2O4 and a molecular weight of 324.42 g/mol. Its IUPAC name is 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID23594734
Molecular FormulaC17H28N2O4
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CCC(CC1COC(C)(C)N1C)C(=O)N1C(=O)OCC1CC
InChIInChI=1S/C17H28N2O4/c1-6-8-12(9-14-11-23-17(3,4)18(14)5)15(20)19-13(7-2)10-22-16(19)21/h6,12-14H,1,7-11H2,2-5H3
InChIKeyWRSRJHOFZZNVPC-UHFFFAOYSA-N
XLogP2.39
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4S)-4-ethyl-3-[(2S)-2-hydroxy-3-[(4S)-2,2,3-trimethyl-1,3-oxazolidin-4-yl]propanoyl]-1,3-oxazolidin-2-one
CID 59079553
(4S)-4-ethyl-3-[(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propanoyl]-1,3-oxazolidin-2-one
CID 59045502
(2S)-2-benzyl-1-[(4R)-4-ethyl-2-oxo-1,3-oxazolidin-3-yl]pentane-1,4-dione
CID 59100324
4-ethyl-3-propanoyl-1,3-oxazolidin-2-one
CID 71379112
tert-butyl (3R)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbonyl]hex-5-enoate
CID 10981603
tert-butyl (3R)-3-[(4S)-4-iodo-2-oxo-1,3-oxazolidine-3-carbonyl]hex-5-enoate
CID 70250198
(4S)-4-benzyl-3-[(2S)-2-[(3,4-dimethoxyphenyl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 57409325
(4S)-4-benzyl-3-[(2S)-2-bromopent-4-enoyl]-1,3-oxazolidin-2-one
CID 14604020
(4S)-3-(2-chloropropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669354
(4S)-3-(2-bromopropanoyl)-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 139669339
(4R)-4-benzyl-3-[(2R,3S)-3-hydroxy-2-prop-2-enyloctanoyl]-1,3-oxazolidin-2-one
CID 11175810
tert-butyl (4S)-4-[(2S)-3-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-2-hydroxy-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 59043343

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one (CID 23594734) is 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one is C=CCC(CC1COC(C)(C)N1C)C(=O)N1C(=O)OCC1CC.
What is the InChIKey of 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is WRSRJHOFZZNVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4/c1-6-8-12(9-14-11-23-17(3,4)18(14)5)15(20)19-13(7-2)10-22-16(19)21/h6,12-14H,1,7-11H2,2-5H3.
What are the key properties of 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 324.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[2-[(2,2,3-trimethyl-1,3-oxazolidin-4-yl)methyl]pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 23594734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).