[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone

C18H15FN2O3S — CID 95189942

IUPAC[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
SMILESO=C(c1coc(COc2cccc(F)c2)n1)N1CC[C@@H]1c1cccs1
InChIInChI=1S/C18H15FN2O3S/c19-12-3-1-4-13(9-12)23-11-17-20-14(10-24-17)18(22)21-7-6-15(21)16-5-2-8-25-16/h1-5,8-10,15H,6-7,11H2/t15-/m1/s1
InChIKeyFFOCGZMNFKFHOD-OAHLLOKOSA-N
MW358.39 g/mol
LogP4.04
Rot. Bonds5

About [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone

[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone (PubChem CID 95189942) has the molecular formula C18H15FN2O3S and a molecular weight of 358.39 g/mol. Its IUPAC name is [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
PubChem CID95189942
Molecular FormulaC18H15FN2O3S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
SMILESO=C(c1coc(COc2cccc(F)c2)n1)N1CC[C@@H]1c1cccs1
InChIInChI=1S/C18H15FN2O3S/c19-12-3-1-4-13(9-12)23-11-17-20-14(10-24-17)18(22)21-7-6-15(21)16-5-2-8-25-16/h1-5,8-10,15H,6-7,11H2/t15-/m1/s1
InChIKeyFFOCGZMNFKFHOD-OAHLLOKOSA-N
XLogP4.04
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95210956
1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxamide
CID 56707588
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3S)-3-(2-hydroxypropan-2-yl)piperidin-1-yl]methanone
CID 95214399
2-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 56746568
N-ethyl-N-[(3R)-1-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl]acetamide
CID 95205357
4-[2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]-1,4-diazepan-2-one
CID 56747442
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56714015
[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 56745012
[(3S)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
CID 95206569
2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 133131779
N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838

Frequently Asked Questions

What is the IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone?
The IUPAC name of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone (CID 95189942) is [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone.
What is the SMILES notation for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone?
The canonical SMILES for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone is O=C(c1coc(COc2cccc(F)c2)n1)N1CC[C@@H]1c1cccs1.
What is the InChIKey of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone?
The InChIKey is FFOCGZMNFKFHOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H15FN2O3S/c19-12-3-1-4-13(9-12)23-11-17-20-14(10-24-17)18(22)21-7-6-15(21)16-5-2-8-25-16/h1-5,8-10,15H,6-7,11H2/t15-/m1/s1.
What are the key properties of [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone?
[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone has a molecular weight of 358.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone is sourced from PubChem (CID 95189942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).