oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate

C16H17NO3S — CID 60599251

IUPACoxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESO=C(OCC1CCCCO1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H17NO3S/c18-16(20-10-13-8-4-5-9-19-13)14-11-21-15(17-14)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2
InChIKeyVZXAZNPRBLDLMD-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.54
Rot. Bonds4

About oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate

oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate (PubChem CID 60599251) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameoxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate
PubChem CID60599251
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Nameoxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate
SMILESO=C(OCC1CCCCO1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C16H17NO3S/c18-16(20-10-13-8-4-5-9-19-13)14-11-21-15(17-14)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2
InChIKeyVZXAZNPRBLDLMD-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclohexyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 60599245
oxan-2-ylmethyl 3-phenylbenzoate
CID 23625075
[2-(cycloheptylamino)-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 39967473
oxan-2-ylmethyl 6-chloropyridine-2-carboxylate
CID 55219420
cyclohexyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;cyclopropylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;1,3-difluoropropan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;3-methylbutan-2-yl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate;oxolan-2-ylmethyl 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylate
CID 167607442
[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-oxoethyl] 2-phenyl-1,3-thiazole-4-carboxylate
CID 8542495
oxan-2-ylmethyl 3-aminothiophene-2-carboxylate
CID 61308304
N-[[(2R)-oxan-2-yl]methylsulfonyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 98284648
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
oxan-2-ylmethyl 6-(propan-2-ylamino)pyridine-2-carboxylate
CID 115498619
(5-bromothiophen-3-yl)methyl 2-phenyl-1,3-thiazole-4-carboxylate
CID 55704837
N-(1,3-benzothiazol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 51923609

Frequently Asked Questions

What is the IUPAC name of oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate?
The IUPAC name of oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate (CID 60599251) is oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate is O=C(OCC1CCCCO1)c1csc(-c2ccccc2)n1.
What is the InChIKey of oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate?
The InChIKey is VZXAZNPRBLDLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c18-16(20-10-13-8-4-5-9-19-13)14-11-21-15(17-14)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2.
What are the key properties of oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate?
oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate has a molecular weight of 303.38 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-ylmethyl 2-phenyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 60599251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).