tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate

C20H26N2O4 — CID 164875447

IUPACtert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate
SMILESCc1ncoc1-c1ccc([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H26N2O4/c1-13-17(24-12-21-13)15-9-7-14(8-10-15)16-11-25-20(5,6)22(16)18(23)26-19(2,3)4/h7-10,12,16H,11H2,1-6H3/t16-/m0/s1
InChIKeyYSVAVSMKDNRUKD-INIZCTEOSA-N
MW358.44 g/mol
LogP4.69
Rot. Bonds2

About tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate (PubChem CID 164875447) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate
PubChem CID164875447
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate
SMILESCc1ncoc1-c1ccc([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C20H26N2O4/c1-13-17(24-12-21-13)15-9-7-14(8-10-15)16-11-25-20(5,6)22(16)18(23)26-19(2,3)4/h7-10,12,16H,11H2,1-6H3/t16-/m0/s1
InChIKeyYSVAVSMKDNRUKD-INIZCTEOSA-N
XLogP4.69
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate (CID 164875447) is tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate is Cc1ncoc1-c1ccc([C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate?
The InChIKey is YSVAVSMKDNRUKD-INIZCTEOSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-13-17(24-12-21-13)15-9-7-14(8-10-15)16-11-25-20(5,6)22(16)18(23)26-19(2,3)4/h7-10,12,16H,11H2,1-6H3/t16-/m0/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 164875447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).