(5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C21H24FN5O4S — CID 69364702

IUPAC(5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCSC[C@H](O)C(=O)N1CC=C(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1
InChIInChI=1S/C21H24FN5O4S/c1-32-13-19(28)20(29)25-7-4-14(5-8-25)17-3-2-15(10-18(17)22)27-12-16(31-21(27)30)11-26-9-6-23-24-26/h2-4,6,9-10,16,19,28H,5,7-8,11-13H2,1H3/t16-,19-/m0/s1
InChIKeyORLRPDZRKJBHGQ-LPHOPBHVSA-N
MW461.52 g/mol
LogP1.78
Rot. Bonds7

About (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 69364702) has the molecular formula C21H24FN5O4S and a molecular weight of 461.52 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID69364702
Molecular FormulaC21H24FN5O4S
Molecular Weight461.52 g/mol
Exact Mass461.15
IUPAC Name(5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCSC[C@H](O)C(=O)N1CC=C(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1
InChIInChI=1S/C21H24FN5O4S/c1-32-13-19(28)20(29)25-7-4-14(5-8-25)17-3-2-15(10-18(17)22)27-12-16(31-21(27)30)11-26-9-6-23-24-26/h2-4,6,9-10,16,19,28H,5,7-8,11-13H2,1H3/t16-,19-/m0/s1
InChIKeyORLRPDZRKJBHGQ-LPHOPBHVSA-N
XLogP1.78
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]acetamide
CID 10296532
N-[[(5S)-3-[3-fluoro-4-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11756137
[[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-methylsulfanylmethylidene]azanium
CID 59988988
(5R)-3-[4-[4-(2,2-dichloroacetyl)piperazin-1-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 162661201
(5R)-3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3-fluorophenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356643
(5R)-3-(3-fluoro-4-thiophen-2-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 141353390
4-[4-[2-fluoro-4-[(5R)-5-(1,2-oxazol-3-yloxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-hydroxy-N-methyl-4-oxobutanamide
CID 142648239
(5R)-3-[4-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59988993
3-[4-[1-[(2S)-2,3-dihydroxypropanoyl]-3,6-dihydro-2H-pyridin-4-yl]-3,5-difluorophenyl]-5-[(4-methyltriazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 163785175
(5R)-3-[3-fluoro-4-[6-[(1S)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626437
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 69364702) is (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CSC[C@H](O)C(=O)N1CC=C(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is ORLRPDZRKJBHGQ-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H24FN5O4S/c1-32-13-19(28)20(29)25-7-4-14(5-8-25)17-3-2-15(10-18(17)22)27-12-16(31-21(27)30)11-26-9-6-23-24-26/h2-4,6,9-10,16,19,28H,5,7-8,11-13H2,1H3/t16-,19-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 461.52 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[1-[(2R)-2-hydroxy-3-methylsulfanylpropanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69364702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).