1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile

C15H11FN8O2 — CID 141230603

IUPAC1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CC2CN(c3ccc(-n4cncn4)c(F)c3)C(=O)O2)n1
InChIInChI=1S/C15H11FN8O2/c16-12-3-10(1-2-13(12)24-8-18-7-20-24)23-6-11(26-15(23)25)5-22-9-19-14(4-17)21-22/h1-3,7-9,11H,5-6H2
InChIKeyFNQCBDSZTUEYCJ-UHFFFAOYSA-N
MW354.31 g/mol
LogP0.89
Rot. Bonds4

About 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile

1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile (PubChem CID 141230603) has the molecular formula C15H11FN8O2 and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile.

Molecular Properties

Compound Name1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile
PubChem CID141230603
Molecular FormulaC15H11FN8O2
Molecular Weight354.31 g/mol
Exact Mass354.10
IUPAC Name1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile
SMILESN#Cc1ncn(CC2CN(c3ccc(-n4cncn4)c(F)c3)C(=O)O2)n1
InChIInChI=1S/C15H11FN8O2/c16-12-3-10(1-2-13(12)24-8-18-7-20-24)23-6-11(26-15(23)25)5-22-9-19-14(4-17)21-22/h1-3,7-9,11H,5-6H2
InChIKeyFNQCBDSZTUEYCJ-UHFFFAOYSA-N
XLogP0.89
TPSA114.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5-(aminomethyl)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 22943658
N-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]formamide;hydrochloride
CID 142686777
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-naphthalen-2-yl-4-oxobutanamide
CID 6482331
4-(4-acetamidophenyl)-N-[[(5S)-3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-oxobutanamide
CID 6482333
N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10337481
3-[3-fluoro-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 76556203
5-(azidomethyl)-3-[3-fluoro-4-[4-(1,2,4-triazol-1-ylmethyl)pyrazol-1-yl]phenyl]-1,3-oxazolidin-2-one
CID 91536880
1-[4-[(5R)-2-oxo-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 10215013
1-[[(5S)-3-[4-[4-(cyanomethyl)piperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carbonitrile
CID 69315415
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
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 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile?
The IUPAC name of 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile (CID 141230603) is 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile.
What is the SMILES notation for 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile?
The canonical SMILES for 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile is N#Cc1ncn(CC2CN(c3ccc(-n4cncn4)c(F)c3)C(=O)O2)n1.
What is the InChIKey of 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile?
The InChIKey is FNQCBDSZTUEYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN8O2/c16-12-3-10(1-2-13(12)24-8-18-7-20-24)23-6-11(26-15(23)25)5-22-9-19-14(4-17)21-22/h1-3,7-9,11H,5-6H2.
What are the key properties of 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile?
1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile has a molecular weight of 354.31 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-1,2,4-triazole-3-carbonitrile is sourced from PubChem (CID 141230603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).