(5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C19H18FN5O4 — CID 11632704

IUPAC(5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)CO)nc2)c(F)c1
InChIInChI=1S/C19H18FN5O4/c20-16-7-13(25-10-14(29-19(25)28)9-24-6-5-22-23-24)2-3-15(16)12-1-4-17(21-8-12)18(27)11-26/h1-8,14,18,26-27H,9-11H2/t14-,18?/m0/s1
InChIKeyPUFSVZQLTJUKEE-PIVQAISJSA-N
MW399.38 g/mol
LogP1.53
Rot. Bonds6

About (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11632704) has the molecular formula C19H18FN5O4 and a molecular weight of 399.38 g/mol. Its IUPAC name is (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID11632704
Molecular FormulaC19H18FN5O4
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name(5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)CO)nc2)c(F)c1
InChIInChI=1S/C19H18FN5O4/c20-16-7-13(25-10-14(29-19(25)28)9-24-6-5-22-23-24)2-3-15(16)12-1-4-17(21-8-12)18(27)11-26/h1-8,14,18,26-27H,9-11H2/t14-,18?/m0/s1
InChIKeyPUFSVZQLTJUKEE-PIVQAISJSA-N
XLogP1.53
TPSA113.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
(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
(5R)-3-{3-fluoro-4-[6-(methoxymethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626435
(5R)-3-(3-fluoro-4-{6-[(1R)-1-methoxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626436
(5R)-3-(3-fluoro-4-{6-[(1S)-1-methoxyethyl]pyridin-3-yl}-phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626437
(5R)-3-(3-fluoro-4-{6-[1-hydroxy-2-(isopropylamino)ethyl]pyridin-3-yl}phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11510480
(5R)-3-{3-fluoro-4-[6-(1-hydroxy-2-morpholin-4-ylethyl)pyridin-3-yl]phenyl}-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11597959
(5R)-3-(4-{6-[2-(dimethylamino)-1-hydroxyethyl]pyridin-3-yl}-3-fluorophenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11661838
(5R)-3-(3-fluoro-4-{6-[hydroxy(piperidin-4-yl)methyl]pyridin-3-yl}phenyl)-5-(1H-1,2,3-triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23624706

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11632704) is (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C(O)CO)nc2)c(F)c1.
What is the InChIKey of (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is PUFSVZQLTJUKEE-PIVQAISJSA-N. The full InChI is InChI=1S/C19H18FN5O4/c20-16-7-13(25-10-14(29-19(25)28)9-24-6-5-22-23-24)2-3-15(16)12-1-4-17(21-8-12)18(27)11-26/h1-8,14,18,26-27H,9-11H2/t14-,18?/m0/s1.
What are the key properties of (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 399.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[6-(1,2-dihydroxyethyl)-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11632704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).