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

C21H19FN8O5 — CID 145494476

IUPACethyl 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
SMILESCCOC(=O)Cc1nc(-c2cnn(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)c2)no1
InChIInChI=1S/C21H19FN8O5/c1-2-33-19(31)8-18-25-20(26-35-18)13-9-24-30(10-13)17-4-3-14(7-16(17)22)29-12-15(34-21(29)32)11-28-6-5-23-27-28/h3-7,9-10,15H,2,8,11-12H2,1H3/t15-/m0/s1
InChIKeyQNCOURYPNFKWOU-HNNXBMFYSA-N
MW482.43 g/mol
LogP1.78
Rot. Bonds8

About 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

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 (PubChem CID 145494476) has the molecular formula C21H19FN8O5 and a molecular weight of 482.43 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameethyl 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
PubChem CID145494476
Molecular FormulaC21H19FN8O5
Molecular Weight482.43 g/mol
Exact Mass482.15
IUPAC Nameethyl 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
SMILESCCOC(=O)Cc1nc(-c2cnn(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)c2)no1
InChIInChI=1S/C21H19FN8O5/c1-2-33-19(31)8-18-25-20(26-35-18)13-9-24-30(10-13)17-4-3-14(7-16(17)22)29-12-15(34-21(29)32)11-28-6-5-23-27-28/h3-7,9-10,15H,2,8,11-12H2,1H3/t15-/m0/s1
InChIKeyQNCOURYPNFKWOU-HNNXBMFYSA-N
XLogP1.78
TPSA143.29 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.43
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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 with MolForge

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Launch Full Analysis

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
(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
(5R)-3-[4-[4-(diethoxymethyl)triazol-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 142673021
ethyl 1-[4-[5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]pyrazole-4-carboxylate
CID 143435103
(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-(4-hexanoylpiperazin-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24881596
4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]piperazine-1-carboximidamide
CID 71472776
1-O-ethyl 4-O-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl] butanedioate
CID 90912700
(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
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 23294656

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)Cc1nc(-c2cnn(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)c2)no1.
What is the InChIKey of 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?
The InChIKey is QNCOURYPNFKWOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19FN8O5/c1-2-33-19(31)8-18-25-20(26-35-18)13-9-24-30(10-13)17-4-3-14(7-16(17)22)29-12-15(34-21(29)32)11-28-6-5-23-27-28/h3-7,9-10,15H,2,8,11-12H2,1H3/t15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 482.43 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145494476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).