3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one

C17H19NO3S — CID 158761380

IUPAC3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one
SMILESO=C(CCC1CCOC1)c1ncc(COc2ccccc2)s1
InChIInChI=1S/C17H19NO3S/c19-16(7-6-13-8-9-20-11-13)17-18-10-15(22-17)12-21-14-4-2-1-3-5-14/h1-5,10,13H,6-9,11-12H2
InChIKeyIOSGZTLMKHLJQV-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.72
Rot. Bonds7

About 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one

3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one (PubChem CID 158761380) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one
PubChem CID158761380
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one
SMILESO=C(CCC1CCOC1)c1ncc(COc2ccccc2)s1
InChIInChI=1S/C17H19NO3S/c19-16(7-6-13-8-9-20-11-13)17-18-10-15(22-17)12-21-14-4-2-1-3-5-14/h1-5,10,13H,6-9,11-12H2
InChIKeyIOSGZTLMKHLJQV-UHFFFAOYSA-N
XLogP3.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-3-yl)-1-[5-(6-phenoxyhexyl)-1,2-oxazol-3-yl]propan-1-one
CID 159638649
2,5-bis(phenoxymethyl)-1,3-thiazole
CID 90704535
3-(oxolan-3-yl)-1-[5-(4-phenylbutoxymethyl)-1,2-oxazol-3-yl]propan-1-one
CID 148781589
3-(oxolan-3-yl)-1-[5-(3-phenylpropyl)-1,2-oxazol-3-yl]propan-1-one
CID 147928312
N-[2-(oxolan-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 102671422
1-[5-[(5-chlorothiophen-2-yl)methoxymethyl]-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 157207857
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
5-[2-(oxolan-3-yl)ethylcarbamoyl]-1,3-thiazole-2-carboxylic acid
CID 114267590
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
N-ethyl-N-(oxolan-3-ylmethyl)-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 55744913
1-[4-bromo-5-[(2-fluorophenyl)methoxymethyl]-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 148732374
1-[5-[(2-fluorophenyl)methoxymethyl]-4-methyl-1,2-oxazol-3-yl]-3-(oxolan-3-yl)propan-1-one
CID 159404084

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one?
The IUPAC name of 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one (CID 158761380) is 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one.
What is the SMILES notation for 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one?
The canonical SMILES for 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one is O=C(CCC1CCOC1)c1ncc(COc2ccccc2)s1.
What is the InChIKey of 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one?
The InChIKey is IOSGZTLMKHLJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3S/c19-16(7-6-13-8-9-20-11-13)17-18-10-15(22-17)12-21-14-4-2-1-3-5-14/h1-5,10,13H,6-9,11-12H2.
What are the key properties of 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one?
3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one has a molecular weight of 317.41 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yl)-1-[5-(phenoxymethyl)-1,3-thiazol-2-yl]propan-1-one is sourced from PubChem (CID 158761380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).