(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C19H16FN7O2 — CID 58239152

IUPAC(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1nc2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2n1
InChIInChI=1S/C19H16FN7O2/c1-12-22-18-5-2-13(9-27(18)23-12)16-4-3-14(8-17(16)20)26-11-15(29-19(26)28)10-25-7-6-21-24-25/h2-9,15H,10-11H2,1H3/t15-/m0/s1
InChIKeyDFFHHVATSFRHAN-HNNXBMFYSA-N
MW393.38 g/mol
LogP2.46
Rot. Bonds4

About (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58239152) has the molecular formula C19H16FN7O2 and a molecular weight of 393.38 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID58239152
Molecular FormulaC19H16FN7O2
Molecular Weight393.38 g/mol
Exact Mass393.13
IUPAC Name(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCc1nc2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2n1
InChIInChI=1S/C19H16FN7O2/c1-12-22-18-5-2-13(9-27(18)23-12)16-4-3-14(8-17(16)20)26-11-15(29-19(26)28)10-25-7-6-21-24-25/h2-9,15H,10-11H2,1H3/t15-/m0/s1
InChIKeyDFFHHVATSFRHAN-HNNXBMFYSA-N
XLogP2.46
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 58239152) is (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is Cc1nc2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2n1.
What is the InChIKey of (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is DFFHHVATSFRHAN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H16FN7O2/c1-12-22-18-5-2-13(9-27(18)23-12)16-4-3-14(8-17(16)20)26-11-15(29-19(26)28)10-25-7-6-21-24-25/h2-9,15H,10-11H2,1H3/t15-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 393.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58239152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).