(4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one

C14H23NO2 — CID 101110424

IUPAC(4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1[C@H](CC)OC(=O)N1C/C(C)=C/CC
InChIInChI=1S/C14H23NO2/c1-5-8-11(4)10-15-12(9-6-2)13(7-3)17-14(15)16/h6,8,12-13H,2,5,7,9-10H2,1,3-4H3/b11-8+/t12-,13-/m0/s1
InChIKeyFGUJFOJJHQDXSE-DPGNGVPNSA-N
MW237.34 g/mol
LogP3.52
Rot. Bonds6

About (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one

(4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one (PubChem CID 101110424) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
PubChem CID101110424
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name(4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one
SMILESC=CC[C@H]1[C@H](CC)OC(=O)N1C/C(C)=C/CC
InChIInChI=1S/C14H23NO2/c1-5-8-11(4)10-15-12(9-6-2)13(7-3)17-14(15)16/h6,8,12-13H,2,5,7,9-10H2,1,3-4H3/b11-8+/t12-,13-/m0/s1
InChIKeyFGUJFOJJHQDXSE-DPGNGVPNSA-N
XLogP3.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,8aS)-1-ethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11263711
(1R,8aR)-1-methyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 11768774
(1R,8aR)-1,6,7-trimethyl-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 71465827
(4R,5R)-5-methyl-3-pent-4-enyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 101807711
(4S,5S)-5-ethyl-3,4-bis(prop-2-enyl)-1,3-oxazolidin-2-one
CID 11435514
tert-butyl (2S)-2-[(1S)-1-acetyloxypropyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134859693
methyl (2R,4R,5R)-2-tert-butyl-5-methyl-4-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 135040870
propan-2-yl 2-[(E)-pent-1-enyl]pyrrolidine-1-carboxylate
CID 162400393
(1R)-1-methyl-1,5,6,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 90662201
3-(5-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)-5-methyl-1,3-oxazolidin-2-one
CID 143367667
1-Methyl-1,5,6,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridin-3-one
CID 357875
tert-butyl (4R)-4-[(E)-hexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10788424

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one (CID 101110424) is (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one is C=CC[C@H]1[C@H](CC)OC(=O)N1C/C(C)=C/CC.
What is the InChIKey of (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
The InChIKey is FGUJFOJJHQDXSE-DPGNGVPNSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-8-11(4)10-15-12(9-6-2)13(7-3)17-14(15)16/h6,8,12-13H,2,5,7,9-10H2,1,3-4H3/b11-8+/t12-,13-/m0/s1.
What are the key properties of (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one?
(4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one has a molecular weight of 237.34 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-ethyl-3-[(E)-2-methylpent-2-enyl]-4-prop-2-enyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 101110424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).