(5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C19H18FN5O3 — CID 23626435

IUPAC(5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCOCc1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C19H18FN5O3/c1-27-12-14-3-2-13(9-21-14)17-5-4-15(8-18(17)20)25-11-16(28-19(25)26)10-24-7-6-22-23-24/h2-9,16H,10-12H2,1H3/t16-/m0/s1
InChIKeyKWLWZXFSQVDMNK-INIZCTEOSA-N
MW383.38 g/mol
LogP2.65
Rot. Bonds6

About (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23626435) has the molecular formula C19H18FN5O3 and a molecular weight of 383.38 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID23626435
Molecular FormulaC19H18FN5O3
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name(5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCOCc1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
InChIInChI=1S/C19H18FN5O3/c1-27-12-14-3-2-13(9-21-14)17-5-4-15(8-18(17)20)25-11-16(28-19(25)26)10-24-7-6-22-23-24/h2-9,16H,10-12H2,1H3/t16-/m0/s1
InChIKeyKWLWZXFSQVDMNK-INIZCTEOSA-N
XLogP2.65
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5R)-3-(3-fluoro-4-pyridin-3-ylphenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626128
(2R,6R)-4-[(4-fluorophenyl)methyl]-10-(3-fluoro-2-pyridinyl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86296201
(2R,6R)-10-(2-fluorophenyl)-4-(pyridin-3-ylmethyl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86297989
(2R,6R)-4-[(4-fluorophenyl)methyl]-10-pyridin-2-yl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86298403
(2S,6S)-4-[(4-fluorophenyl)methyl]-10-pyridin-2-yl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 86298405
Tead-IN-3
CID 162623428
(2R,6R)-4-[(4-fluorophenyl)methyl]-10-(5-fluoro-2-pyridinyl)-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene
CID 168285428
(5R)-3-(3-fluoro-4-{6-[(1R)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11603378
(5R)-3-{3-Fluoro-4-[6-(1-hydroxy-1-methylethyl)pyridin-3-yl]phenyl}-5-(1-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11668415
(5R)-3-(3-fluoro-4-{6-[(1S)-1-hydroxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23624703
(5R)-3-{3-fluoro-4-[6-(hydroxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626439
US9688669, Example 26
CID 133081522

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23626435) is (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is COCc1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is KWLWZXFSQVDMNK-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18FN5O3/c1-27-12-14-3-2-13(9-21-14)17-5-4-15(8-18(17)20)25-11-16(28-19(25)26)10-24-7-6-22-23-24/h2-9,16H,10-12H2,1H3/t16-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 383.38 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-(methoxymethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23626435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).