[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone

C18H14F2N2O3S — CID 95210956

IUPAC[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
SMILESO=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CC[C@@H]1c1cccs1
InChIInChI=1S/C18H14F2N2O3S/c19-13-4-3-11(8-14(13)20)24-10-12-9-15(21-25-12)18(23)22-6-5-16(22)17-2-1-7-26-17/h1-4,7-9,16H,5-6,10H2/t16-/m1/s1
InChIKeyLWFNJWXJEWTJDP-MRXNPFEDSA-N
MW376.38 g/mol
LogP4.18
Rot. Bonds5

About [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone

[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone (PubChem CID 95210956) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
PubChem CID95210956
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
SMILESO=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CC[C@@H]1c1cccs1
InChIInChI=1S/C18H14F2N2O3S/c19-13-4-3-11(8-14(13)20)24-10-12-9-15(21-25-12)18(23)22-6-5-16(22)17-2-1-7-26-17/h1-4,7-9,16H,5-6,10H2/t16-/m1/s1
InChIKeyLWFNJWXJEWTJDP-MRXNPFEDSA-N
XLogP4.18
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95189942
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 24790853
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 25459404
1-[4-[[3-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-1,2-oxazol-5-yl]methoxy]phenyl]ethanone
CID 42508366
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 24793443
[5-[(2,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 25456831
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 9467316
[5-[(2-methyl-1,3-benzothiazol-5-yl)oxymethyl]-1,2-oxazol-3-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 45233636
[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 56742487
ethyl 1-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-2-carboxylate
CID 45192926
5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 56758678
[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methanone
CID 51660353

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone?
The IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone (CID 95210956) is [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone.
What is the SMILES notation for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone?
The canonical SMILES for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone is O=C(c1cc(COc2ccc(F)c(F)c2)on1)N1CC[C@@H]1c1cccs1.
What is the InChIKey of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone?
The InChIKey is LWFNJWXJEWTJDP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c19-13-4-3-11(8-14(13)20)24-10-12-9-15(21-25-12)18(23)22-6-5-16(22)17-2-1-7-26-17/h1-4,7-9,16H,5-6,10H2/t16-/m1/s1.
What are the key properties of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone?
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone has a molecular weight of 376.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone is sourced from PubChem (CID 95210956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).