tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C19H27NO6 — CID 74223052

IUPACtert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)c1ccc(OC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(22)20-14(12-25-19(20,4)5)11-24-15-9-7-13(8-10-15)16(21)23-6/h7-10,14H,11-12H2,1-6H3/t14-/m0/s1
InChIKeyBMADSZCMFILSKD-AWEZNQCLSA-N
MW365.43 g/mol
LogP3.22
Rot. Bonds4

About tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 74223052) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID74223052
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Nametert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)c1ccc(OC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H27NO6/c1-18(2,3)26-17(22)20-14(12-25-19(20,4)5)11-24-15-9-7-13(8-10-15)16(21)23-6/h7-10,14H,11-12H2,1-6H3/t14-/m0/s1
InChIKeyBMADSZCMFILSKD-AWEZNQCLSA-N
XLogP3.22
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 74223052) is tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)c1ccc(OC[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is BMADSZCMFILSKD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27NO6/c1-18(2,3)26-17(22)20-14(12-25-19(20,4)5)11-24-15-9-7-13(8-10-15)16(21)23-6/h7-10,14H,11-12H2,1-6H3/t14-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(4-methoxycarbonylphenoxy)methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 74223052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).