(2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol

C14H16FN3O5 — CID 102391190

IUPAC(2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol
SMILESCOc1ccccc1-c1cn(O[C@@H]2OC[C@@H](F)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C14H16FN3O5/c1-21-11-5-3-2-4-8(11)10-6-18(17-16-10)23-14-13(20)12(19)9(15)7-22-14/h2-6,9,12-14,19-20H,7H2,1H3/t9-,12+,13-,14+/m1/s1
InChIKeyJKPZQRMIQAKUJE-PCDDKUFXSA-N
MW325.30 g/mol
LogP-0.20
Rot. Bonds4

About (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol

(2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol (PubChem CID 102391190) has the molecular formula C14H16FN3O5 and a molecular weight of 325.30 g/mol. Its IUPAC name is (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol
PubChem CID102391190
Molecular FormulaC14H16FN3O5
Molecular Weight325.30 g/mol
Exact Mass325.11
IUPAC Name(2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol
SMILESCOc1ccccc1-c1cn(O[C@@H]2OC[C@@H](F)[C@H](O)[C@H]2O)nn1
InChIInChI=1S/C14H16FN3O5/c1-21-11-5-3-2-4-8(11)10-6-18(17-16-10)23-14-13(20)12(19)9(15)7-22-14/h2-6,9,12-14,19-20H,7H2,1H3/t9-,12+,13-,14+/m1/s1
InChIKeyJKPZQRMIQAKUJE-PCDDKUFXSA-N
XLogP-0.20
TPSA98.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.30
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol with MolForge

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Related Compounds

(2S,3R,4R,5R)-5-fluoro-2-[4-(4-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol
CID 102391188
2-[4-(2-methoxyphenyl)triazol-1-yl]oxane-3,4,5-triol
CID 59360708
(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 758005
4-(2-methoxyphenyl)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]triazole
CID 25258924
1-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]pyrrolidine-2,5-dione
CID 167764428
4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
CID 146140960
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
2-[4-(2-methoxyphenyl)triazol-1-yl]-1-(4-methylphenyl)propan-1-ol
CID 167787496
2-fluoro-N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]benzamide
CID 54641606
1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)triazol-1-yl]ethyl]oxan-3-yl]-3-propan-2-ylurea
CID 54641759
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-4-amine
CID 56770334

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol?
The IUPAC name of (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol (CID 102391190) is (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol.
What is the SMILES notation for (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol?
The canonical SMILES for (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol is COc1ccccc1-c1cn(O[C@@H]2OC[C@@H](F)[C@H](O)[C@H]2O)nn1.
What is the InChIKey of (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol?
The InChIKey is JKPZQRMIQAKUJE-PCDDKUFXSA-N. The full InChI is InChI=1S/C14H16FN3O5/c1-21-11-5-3-2-4-8(11)10-6-18(17-16-10)23-14-13(20)12(19)9(15)7-22-14/h2-6,9,12-14,19-20H,7H2,1H3/t9-,12+,13-,14+/m1/s1.
What are the key properties of (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol?
(2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol has a molecular weight of 325.30 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R)-5-fluoro-2-[4-(2-methoxyphenyl)triazol-1-yl]oxyoxane-3,4-diol is sourced from PubChem (CID 102391190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).