(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate

C16H17NO3S — CID 97157485

IUPAC(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate
SMILESC[C@H]1OCC[C@H]1C(=O)OCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H17NO3S/c1-11-14(7-8-19-11)16(18)20-10-13-9-17-15(21-13)12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3/t11-,14-/m1/s1
InChIKeyMKBSCWRRWGLAHU-BXUZGUMPSA-N
MW303.38 g/mol
LogP3.28
Rot. Bonds4

About (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate

(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate (PubChem CID 97157485) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate
PubChem CID97157485
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate
SMILESC[C@H]1OCC[C@H]1C(=O)OCc1cnc(-c2ccccc2)s1
InChIInChI=1S/C16H17NO3S/c1-11-14(7-8-19-11)16(18)20-10-13-9-17-15(21-13)12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3/t11-,14-/m1/s1
InChIKeyMKBSCWRRWGLAHU-BXUZGUMPSA-N
XLogP3.28
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate (CID 97157485) is (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate is C[C@H]1OCC[C@H]1C(=O)OCc1cnc(-c2ccccc2)s1.
What is the InChIKey of (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate?
The InChIKey is MKBSCWRRWGLAHU-BXUZGUMPSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-11-14(7-8-19-11)16(18)20-10-13-9-17-15(21-13)12-5-3-2-4-6-12/h2-6,9,11,14H,7-8,10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate?
(2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-5-yl)methyl (2R,3R)-2-methyloxolane-3-carboxylate is sourced from PubChem (CID 97157485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).