(2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C26H28ClFN8O4 — CID 69241706

IUPAC(2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1CCCN1C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C26H27FN8O4.ClH/c27-21-10-17(35-15-19(38-26(35)37)14-34-9-7-30-32-34)4-5-20(21)16-3-6-22(29-12-16)23-11-18(39-31-23)13-33-8-1-2-24(33)25(28)36;/h3-7,9-10,12,18-19,24H,1-2,8,11,13-15H2,(H2,28,36);1H/t18-,19-,24-;/m0./s1
InChIKeyUNTBANBNAAWJAF-STPBPWNBSA-N
MW571.01 g/mol
LogP2.37
Rot. Bonds8

About (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 69241706) has the molecular formula C26H28ClFN8O4 and a molecular weight of 571.01 g/mol. Its IUPAC name is (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID69241706
Molecular FormulaC26H28ClFN8O4
Molecular Weight571.01 g/mol
Exact Mass570.19
IUPAC Name(2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.NC(=O)[C@@H]1CCCN1C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChIInChI=1S/C26H27FN8O4.ClH/c27-21-10-17(35-15-19(38-26(35)37)14-34-9-7-30-32-34)4-5-20(21)16-3-6-22(29-12-16)23-11-18(39-31-23)13-33-8-1-2-24(33)25(28)36;/h3-7,9-10,12,18-19,24H,1-2,8,11,13-15H2,(H2,28,36);1H/t18-,19-,24-;/m0./s1
InChIKeyUNTBANBNAAWJAF-STPBPWNBSA-N
XLogP2.37
TPSA141.06 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.01
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(5R)-3-[3-fluoro-4-[6-[(5S)-5-(methylaminomethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11662407
3-[3-fluoro-4-[6-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 73445534
[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl (2S)-pyrrolidine-2-carboxylate
CID 140510955
[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl piperidine-4-carboxylate
CID 58653805
[3-[5-[2-fluoro-4-[2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl phosphate
CID 18443013
(5R)-3-[3-fluoro-4-[6-[5-(1-hydroxycyclopentyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58653741
(5R)-3-[3-fluoro-4-[6-[(5S)-5-(2,2,4,4-tetramethylpentan-3-yl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 90686320
(2S)-N-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide
CID 11570088
1-O-ethyl 6-O-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl] hexanedioate
CID 58758423
3-[3-fluoro-4-[6-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;N-methylethanamine
CID 143143113
3-[3-fluoro-4-[6-(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;4-methylmorpholine
CID 143143123
(5R)-3-[3-fluoro-4-[6-[5-[(2-pyridin-4-ylethylamino)methyl]-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 58653734

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 69241706) is (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.NC(=O)[C@@H]1CCCN1C[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.
What is the InChIKey of (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is UNTBANBNAAWJAF-STPBPWNBSA-N. The full InChI is InChI=1S/C26H27FN8O4.ClH/c27-21-10-17(35-15-19(38-26(35)37)14-34-9-7-30-32-34)4-5-20(21)16-3-6-22(29-12-16)23-11-18(39-31-23)13-33-8-1-2-24(33)25(28)36;/h3-7,9-10,12,18-19,24H,1-2,8,11,13-15H2,(H2,28,36);1H/t18-,19-,24-;/m0./s1.
What are the key properties of (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 571.01 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 69241706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).