tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate

C12H18N2O3S — CID 68672051

IUPACtert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate
SMILESCc1csc([C@H]2COCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3S/c1-8-6-18-10(13-8)9-5-16-7-14(9)11(15)17-12(2,3)4/h6,9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyANUFPJAMQGFUEL-SECBINFHSA-N
MW270.35 g/mol
LogP2.72
Rot. Bonds1

About tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate (PubChem CID 68672051) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate
PubChem CID68672051
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate
SMILESCc1csc([C@H]2COCN2C(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3S/c1-8-6-18-10(13-8)9-5-16-7-14(9)11(15)17-12(2,3)4/h6,9H,5,7H2,1-4H3/t9-/m1/s1
InChIKeyANUFPJAMQGFUEL-SECBINFHSA-N
XLogP2.72
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carbonyl]benzamide
CID 68670923
(4R)-N-benzoyl-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxamide
CID 68670924
[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95762443
tert-butyl 2-(4-phenyl-1,3-thiazol-2-yl)piperidine-1-carboxylate
CID 67357840
N-[1-(1-methylpyrazol-4-yl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 131960819
tert-butyl (3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine-4-carboxylate
CID 97184598
1-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 123326617
[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-(4,5,6,7-tetrahydro-2H-benzotriazol-5-yl)methanone
CID 154779345
(3R)-N-(2-bromoprop-2-enyl)-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829886
[1-(4-methylphenyl)triazol-4-yl]-[3-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126795570
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
(3S)-N-[(2,4-dimethylphenyl)methyl]-3-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 99829842

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate (CID 68672051) is tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate is Cc1csc([C@H]2COCN2C(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is ANUFPJAMQGFUEL-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-6-18-10(13-8)9-5-16-7-14(9)11(15)17-12(2,3)4/h6,9H,5,7H2,1-4H3/t9-/m1/s1.
What are the key properties of tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-(4-methyl-1,3-thiazol-2-yl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 68672051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).