3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one

C16H25NO3 — CID 101143579

IUPAC3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C(=O)N1CCOC1=O)[C@@H](C)C1CCCCC1
InChIInChI=1S/C16H25NO3/c1-3-7-14(12(2)13-8-5-4-6-9-13)15(18)17-10-11-20-16(17)19/h3,12-14H,1,4-11H2,2H3/t12-,14+/m0/s1
InChIKeyXIBMRUZBPCZJQW-GXTWGEPZSA-N
MW279.38 g/mol
LogP3.37
Rot. Bonds5

About 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one

3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 101143579) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID101143579
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C(=O)N1CCOC1=O)[C@@H](C)C1CCCCC1
InChIInChI=1S/C16H25NO3/c1-3-7-14(12(2)13-8-5-4-6-9-13)15(18)17-10-11-20-16(17)19/h3,12-14H,1,4-11H2,2H3/t12-,14+/m0/s1
InChIKeyXIBMRUZBPCZJQW-GXTWGEPZSA-N
XLogP3.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

tert-butyl (2R,3S)-2-(2-methylpropyl)-3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate
CID 11151950
3-[(2R)-2-[(1S)-2-methyl-1-phenylpropyl]pent-4-enoyl]-1,3-oxazolidin-2-one
CID 101143575
3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
CID 102445066
3-(2-methylpropanoyl)-1,3-oxazolidin-2-one
CID 10397067
3-[(2S)-2-hydroxypropanoyl]-1,3-oxazolidin-2-one
CID 71425573
prop-2-enyl (2S,3S)-3-methyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-4-pyrrol-1-ylbutanoate
CID 15473947
3-non-8-enoyl-1,3-oxazolidin-2-one
CID 89302555
tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 158150914
3-(3-cyclohexylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 175084224
ethyl (2S,3S)-3-(cyclopentylmethyl)-4-methylsulfanyl-4-oxo-2-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]butanoate
CID 15473939
[4-[1-fluoro-2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]cyclohexyl] N-methylcarbamate
CID 134208502
benzyl (2S)-2-[(2S)-1-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)propan-2-yl]pyrrolidine-1-carboxylate
CID 15894128

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one (CID 101143579) is 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@@H](C(=O)N1CCOC1=O)[C@@H](C)C1CCCCC1.
What is the InChIKey of 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is XIBMRUZBPCZJQW-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H25NO3/c1-3-7-14(12(2)13-8-5-4-6-9-13)15(18)17-10-11-20-16(17)19/h3,12-14H,1,4-11H2,2H3/t12-,14+/m0/s1.
What are the key properties of 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one?
3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 279.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(1S)-1-cyclohexylethyl]pent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 101143579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).