tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate

C14H20N2O4S — CID 10358160

IUPACtert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(=O)c2nccs2)COC1(C)C
InChIInChI=1S/C14H20N2O4S/c1-13(2,3)20-12(18)16-9(8-19-14(16,4)5)10(17)11-15-6-7-21-11/h6-7,9H,8H2,1-5H3/t9-/m1/s1
InChIKeySBIRJHHXHSMKOX-SECBINFHSA-N
MW312.39 g/mol
LogP2.70
Rot. Bonds2

About tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 10358160) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate
PubChem CID10358160
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@@H](C(=O)c2nccs2)COC1(C)C
InChIInChI=1S/C14H20N2O4S/c1-13(2,3)20-12(18)16-9(8-19-14(16,4)5)10(17)11-15-6-7-21-11/h6-7,9H,8H2,1-5H3/t9-/m1/s1
InChIKeySBIRJHHXHSMKOX-SECBINFHSA-N
XLogP2.70
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate (CID 10358160) is tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@@H](C(=O)c2nccs2)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is SBIRJHHXHSMKOX-SECBINFHSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-13(2,3)20-12(18)16-9(8-19-14(16,4)5)10(17)11-15-6-7-21-11/h6-7,9H,8H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 312.39 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-(1,3-thiazole-2-carbonyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10358160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).