(4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one

C10H15NO3 — CID 71366501

IUPAC(4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C
InChIInChI=1S/C10H15NO3/c1-5-8(12)11-7(10(2,3)4)6-14-9(11)13/h5,7H,1,6H2,2-4H3/t7-/m1/s1
InChIKeyDRSHJSYDDUCSKF-SSDOTTSWSA-N
MW197.23 g/mol
LogP1.57
Rot. Bonds1

About (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one

(4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 71366501) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
PubChem CID71366501
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILESC=CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C
InChIInChI=1S/C10H15NO3/c1-5-8(12)11-7(10(2,3)4)6-14-9(11)13/h5,7H,1,6H2,2-4H3/t7-/m1/s1
InChIKeyDRSHJSYDDUCSKF-SSDOTTSWSA-N
XLogP1.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one (CID 71366501) is (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one is C=CC(=O)N1C(=O)OC[C@@H]1C(C)(C)C.
What is the InChIKey of (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is DRSHJSYDDUCSKF-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-8(12)11-7(10(2,3)4)6-14-9(11)13/h5,7H,1,6H2,2-4H3/t7-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-prop-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71366501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).