ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate

C14H19NO3 — CID 10955944

IUPACethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@](C)(c2ccccc2)ON1C
InChIInChI=1S/C14H19NO3/c1-4-17-13(16)12-10-14(2,18-15(12)3)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3/t12-,14+/m0/s1
InChIKeyNBBAJZANZPGCIK-GXTWGEPZSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds3

About ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate

ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate (PubChem CID 10955944) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
PubChem CID10955944
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1C[C@](C)(c2ccccc2)ON1C
InChIInChI=1S/C14H19NO3/c1-4-17-13(16)12-10-14(2,18-15(12)3)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3/t12-,14+/m0/s1
InChIKeyNBBAJZANZPGCIK-GXTWGEPZSA-N
XLogP2.10
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate (CID 10955944) is ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate is CCOC(=O)[C@@H]1C[C@](C)(c2ccccc2)ON1C.
What is the InChIKey of ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is NBBAJZANZPGCIK-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-17-13(16)12-10-14(2,18-15(12)3)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate?
ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S,5R)-2,5-dimethyl-5-phenyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 10955944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).