(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

C19H17FN8O4 — CID 71054929

IUPAC(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
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-n2cc(-c3noc(CCO)n3)cn2)c(F)c1
InChIInChI=1S/C19H17FN8O4/c20-15-7-13(27-11-14(31-19(27)30)10-26-5-4-21-25-26)1-2-16(15)28-9-12(8-22-28)18-23-17(3-6-29)32-24-18/h1-2,4-5,7-9,14,29H,3,6,10-11H2/t14-/m0/s1
InChIKeyZZYWFCASIUVQAA-AWEZNQCLSA-N
MW440.40 g/mol
LogP1.21
Rot. Bonds7

About (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

(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 (PubChem CID 71054929) has the molecular formula C19H17FN8O4 and a molecular weight of 440.40 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID71054929
Molecular FormulaC19H17FN8O4
Molecular Weight440.40 g/mol
Exact Mass440.14
IUPAC Name(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
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-n2cc(-c3noc(CCO)n3)cn2)c(F)c1
InChIInChI=1S/C19H17FN8O4/c20-15-7-13(27-11-14(31-19(27)30)10-26-5-4-21-25-26)1-2-16(15)28-9-12(8-22-28)18-23-17(3-6-29)32-24-18/h1-2,4-5,7-9,14,29H,3,6,10-11H2/t14-/m0/s1
InChIKeyZZYWFCASIUVQAA-AWEZNQCLSA-N
XLogP1.21
TPSA137.22 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze (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 with MolForge

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Related Compounds

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
(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
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 23294656
(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-(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-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
(5R)-3-[3-fluoro-4-(4-pyridin-2-ylpyrazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 127042021
(5R)-3-[4-[4-(diethoxymethyl)triazol-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 142673021
(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
4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboximidamide
CID 71472776

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-n2cc(-c3noc(CCO)n3)cn2)c(F)c1.
What is the InChIKey of (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?
The InChIKey is ZZYWFCASIUVQAA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H17FN8O4/c20-15-7-13(27-11-14(31-19(27)30)10-26-5-4-21-25-26)1-2-16(15)28-9-12(8-22-28)18-23-17(3-6-29)32-24-18/h1-2,4-5,7-9,14,29H,3,6,10-11H2/t14-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 440.40 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 71054929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).