(5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C18H12F4N8O3 — CID 145494478

IUPAC(5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-n2cc(-c3noc(C(F)(F)F)n3)cn2)c(F)c1
InChIInChI=1S/C18H12F4N8O3/c19-13-5-11(29-9-12(32-17(29)31)8-28-4-3-23-27-28)1-2-14(13)30-7-10(6-24-30)15-25-16(33-26-15)18(20,21)22/h1-7,12H,8-9H2/t12-/m0/s1
InChIKeyZWLZHLPKRUOOAE-LBPRGKRZSA-N
MW464.34 g/mol
LogP2.70
Rot. Bonds5

About (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 145494478) has the molecular formula C18H12F4N8O3 and a molecular weight of 464.34 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID145494478
Molecular FormulaC18H12F4N8O3
Molecular Weight464.34 g/mol
Exact Mass464.10
IUPAC Name(5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-n2cc(-c3noc(C(F)(F)F)n3)cn2)c(F)c1
InChIInChI=1S/C18H12F4N8O3/c19-13-5-11(29-9-12(32-17(29)31)8-28-4-3-23-27-28)1-2-14(13)30-7-10(6-24-30)15-25-16(33-26-15)18(20,21)22/h1-7,12H,8-9H2/t12-/m0/s1
InChIKeyZWLZHLPKRUOOAE-LBPRGKRZSA-N
XLogP2.70
TPSA116.99 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-[3-fluoro-4-[4-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 71054929
ethyl 2-[3-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]pyrazol-4-yl]-1,2,4-oxadiazol-5-yl]acetate
CID 145494476
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
(5R)-3-[3-fluoro-4-[3-(5-trimethylsilyl-1,2-oxazol-3-yl)pyrrol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25049886
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
(5R)-3-[3-fluoro-4-(2-oxo-2λ4-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 126484471
(5R)-3-[4-[4-(diethoxymethyl)triazol-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 142673021
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 23294656
(5R)-3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10179280
N-[[(5S)-3-[3-fluoro-4-[4-[5-(4-methyl-1,3-dioxetan-2-yl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide
CID 89230558
(5R)-3-[3-fluoro-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 25105500
2-[2-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]acetonitrile
CID 71595486

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 145494478) is (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-n2cc(-c3noc(C(F)(F)F)n3)cn2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is ZWLZHLPKRUOOAE-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H12F4N8O3/c19-13-5-11(29-9-12(32-17(29)31)8-28-4-3-23-27-28)1-2-14(13)30-7-10(6-24-30)15-25-16(33-26-15)18(20,21)22/h1-7,12H,8-9H2/t12-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 464.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrazol-1-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 145494478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).