(4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one

C14H23NO3 — CID 134855138

IUPAC(4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C)C
InChIInChI=1S/C14H23NO3/c1-6-7-11(9(2)3)13(16)15-12(10(4)5)8-18-14(15)17/h6,9-12H,1,7-8H2,2-5H3/t11-,12-/m1/s1
InChIKeyDEELJWCZSPRQLH-VXGBXAGGSA-N
MW253.34 g/mol
LogP2.84
Rot. Bonds5

About (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one

(4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one (PubChem CID 134855138) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
PubChem CID134855138
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name(4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one
SMILESC=CC[C@@H](C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C)C
InChIInChI=1S/C14H23NO3/c1-6-7-11(9(2)3)13(16)15-12(10(4)5)8-18-14(15)17/h6,9-12H,1,7-8H2,2-5H3/t11-,12-/m1/s1
InChIKeyDEELJWCZSPRQLH-VXGBXAGGSA-N
XLogP2.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4R)-3-(2-fluorobut-3-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135027485
(4S)-3-[(1R,2S)-2-ethenyl-1,2-diethylcyclopropanecarbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139191668
(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
(S)-4-isopropyl-3-(4-pentenoyl)-oxazolidin-2-one
CID 11820460
3-(3-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972443
3-(2-Methylhex-5-enoyl)-1,3-oxazolidin-2-one
CID 14972444
3-[(2R)-2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 10857564
(4S)-3-[(1S,6S)-4,6-dimethylcyclohex-3-ene-1-carbonyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 13949711
3-[(1S,2R,5R)-2,5-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 15522338
3-[2-(2,2-Dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 85291110
3-(2-Methylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 85727474
3-(2-Prop-2-enylhexanoyl)-1,3-oxazolidin-2-one
CID 85931226

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one (CID 134855138) is (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one is C=CC[C@@H](C(=O)N1C(=O)OC[C@@H]1C(C)C)C(C)C.
What is the InChIKey of (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
The InChIKey is DEELJWCZSPRQLH-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H23NO3/c1-6-7-11(9(2)3)13(16)15-12(10(4)5)8-18-14(15)17/h6,9-12H,1,7-8H2,2-5H3/t11-,12-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one?
(4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one has a molecular weight of 253.34 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-3-[(2R)-2-propan-2-ylpent-4-enoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134855138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).