methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

C17H17FN8O4 — CID 25118422

IUPACmethyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4cncn4)nn3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN8O4/c1-29-16(27)20-5-13-8-25(17(28)30-13)12-2-3-15(14(18)4-12)26-7-11(22-23-26)6-24-10-19-9-21-24/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,20,27)/t13-/m0/s1
InChIKeyHNFGLQMFKHKPHG-ZDUSSCGKSA-N
MW416.37 g/mol
LogP0.73
Rot. Bonds6

About methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate

methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (PubChem CID 25118422) has the molecular formula C17H17FN8O4 and a molecular weight of 416.37 g/mol. Its IUPAC name is methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
PubChem CID25118422
Molecular FormulaC17H17FN8O4
Molecular Weight416.37 g/mol
Exact Mass416.14
IUPAC Namemethyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
SMILESCOC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4cncn4)nn3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H17FN8O4/c1-29-16(27)20-5-13-8-25(17(28)30-13)12-2-3-15(14(18)4-12)26-7-11(22-23-26)6-24-10-19-9-21-24/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,20,27)/t13-/m0/s1
InChIKeyHNFGLQMFKHKPHG-ZDUSSCGKSA-N
XLogP0.73
TPSA129.29 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate with MolForge

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 25119487
N-[[3-[3-fluoro-4-[4-[(3-methyl-1,2,4-triazol-4-yl)methyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69220459
N-[[(5S)-3-[3-fluoro-4-[4-[(3-methyl-1,2,4-triazol-4-yl)methyl]triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25120888
N-[[3-[3-fluoro-4-(4-formyltriazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54175848
N-[[(5S)-3-[3-fluoro-4-[6-(1,2,4-triazol-1-ylmethyl)-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11304419
methyl N-[[(5S)-3-[3-fluoro-4-(2-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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methyl N-[[(5S)-3-(3-fluoro-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 58610310
methyl N-[[(5S)-3-(4-bromo-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 70810531
methyl N-[[3-[3-fluoro-4-(1-formyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 75096338
methyl N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-oxo-3λ4-thia-8-azabicyclo[3.2.1]octan-8-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
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N-[[(5S)-3-[3-fluoro-4-(3-methoxyazetidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15381194
N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride
CID 142686777

Frequently Asked Questions

What is the IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The IUPAC name of methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate (CID 25118422) is methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is COC(=O)NC[C@H]1CN(c2ccc(-n3cc(Cn4cncn4)nn3)c(F)c2)C(=O)O1.
What is the InChIKey of methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
The InChIKey is HNFGLQMFKHKPHG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17FN8O4/c1-29-16(27)20-5-13-8-25(17(28)30-13)12-2-3-15(14(18)4-12)26-7-11(22-23-26)6-24-10-19-9-21-24/h2-4,7,9-10,13H,5-6,8H2,1H3,(H,20,27)/t13-/m0/s1.
What are the key properties of methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate?
methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate has a molecular weight of 416.37 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(5S)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)triazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate is sourced from PubChem (CID 25118422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).