4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one

C17H22ClNO3 — CID 134961125

IUPAC4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C17H22ClNO3/c1-11(12-7-5-6-8-13(12)18)9-15(20)19-14(17(2,3)4)10-22-16(19)21/h5-8,11,14H,9-10H2,1-4H3/t11-,14?/m1/s1
InChIKeyXOPMGDHJXQEWLH-YNODCEANSA-N
MW323.82 g/mol
LogP4.23
Rot. Bonds3

About 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one

4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one (PubChem CID 134961125) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one
PubChem CID134961125
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one
SMILESC[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1ccccc1Cl
InChIInChI=1S/C17H22ClNO3/c1-11(12-7-5-6-8-13(12)18)9-15(20)19-14(17(2,3)4)10-22-16(19)21/h5-8,11,14H,9-10H2,1-4H3/t11-,14?/m1/s1
InChIKeyXOPMGDHJXQEWLH-YNODCEANSA-N
XLogP4.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one (CID 134961125) is 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one is C[C@H](CC(=O)N1C(=O)OCC1C(C)(C)C)c1ccccc1Cl.
What is the InChIKey of 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one?
The InChIKey is XOPMGDHJXQEWLH-YNODCEANSA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-11(12-7-5-6-8-13(12)18)9-15(20)19-14(17(2,3)4)10-22-16(19)21/h5-8,11,14H,9-10H2,1-4H3/t11-,14?/m1/s1.
What are the key properties of 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one?
4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one has a molecular weight of 323.82 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[(3R)-3-(2-chlorophenyl)butanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 134961125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).