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

C14H12FN7O2 — CID 10245986

IUPAC(5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2cn[nH]n2)c(F)c1
InChIInChI=1S/C14H12FN7O2/c15-12-5-9(1-2-11(12)13-6-17-19-18-13)22-8-10(24-14(22)23)7-21-4-3-16-20-21/h1-6,10H,7-8H2,(H,17,18,19)/t10-/m0/s1
InChIKeyQNEOQUGEIALRQA-JTQLQIEISA-N
MW329.30 g/mol
LogP1.23
Rot. Bonds4

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

(5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 10245986) has the molecular formula C14H12FN7O2 and a molecular weight of 329.30 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID10245986
Molecular FormulaC14H12FN7O2
Molecular Weight329.30 g/mol
Exact Mass329.10
IUPAC Name(5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2cn[nH]n2)c(F)c1
InChIInChI=1S/C14H12FN7O2/c15-12-5-9(1-2-11(12)13-6-17-19-18-13)22-8-10(24-14(22)23)7-21-4-3-16-20-21/h1-6,10H,7-8H2,(H,17,18,19)/t10-/m0/s1
InChIKeyQNEOQUGEIALRQA-JTQLQIEISA-N
XLogP1.23
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 10245986) is (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2cn[nH]n2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is QNEOQUGEIALRQA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12FN7O2/c15-12-5-9(1-2-11(12)13-6-17-19-18-13)22-8-10(24-14(22)23)7-21-4-3-16-20-21/h1-6,10H,7-8H2,(H,17,18,19)/t10-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 329.30 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-(2H-triazol-4-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10245986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).