tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene

About tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene

tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene (PubChem CID 90818541) has the molecular formula C26H38N2O6 and a molecular weight of 474.60 g/mol. Its IUPAC name is tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene.

Molecular Properties

Compound Name	tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene
PubChem CID	90818541
Molecular Formula	C26H38N2O6
Molecular Weight	474.60 g/mol
Exact Mass	474.27
IUPAC Name	tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene
SMILES	C=CC.CC(C)(C)OC(=O)N1[C@@H](CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)COC1(C)C
InChI	InChI=1S/C23H32N2O6.C3H6/c1-22(2,3)31-21(28)25-17(15-30-23(25,4)5)11-12-19(26)24-18(14-29-20(24)27)13-16-9-7-6-8-10-16;1-3-2/h6-10,17-18H,11-15H2,1-5H3;3H,1H2,2H3/t17-,18+;/m0./s1
InChIKey	PZABWRMNWOYKKD-CJRXIRLBSA-N
XLogP	4.92
TPSA	85.38 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.60
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene?

The IUPAC name of tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene (CID 90818541) is tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene.

What is the SMILES notation for tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene?

The canonical SMILES for tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene is C=CC.CC(C)(C)OC(=O)N1[C@@H](CCC(=O)N2C(=O)OC[C@H]2Cc2ccccc2)COC1(C)C.

What is the InChIKey of tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene?

The InChIKey is PZABWRMNWOYKKD-CJRXIRLBSA-N. The full InChI is InChI=1S/C23H32N2O6.C3H6/c1-22(2,3)31-21(28)25-17(15-30-23(25,4)5)11-12-19(26)24-18(14-29-20(24)27)13-16-9-7-6-8-10-16;1-3-2/h6-10,17-18H,11-15H2,1-5H3;3H,1H2,2H3/t17-,18+;/m0./s1.

What are the key properties of tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene?

tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene has a molecular weight of 474.60 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S)-4-[3-[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate;prop-1-ene is sourced from PubChem (CID 90818541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).