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

C23H24FN7O5 — CID 73355583

IUPAC(5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C(CO)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CCO1
InChIInChI=1S/C23H24FN7O5/c24-20-11-17(30-14-18(36-23(30)34)13-29-6-5-26-27-29)2-3-19(20)16-1-4-21(25-12-16)28-7-8-31(22(33)15-32)35-10-9-28/h1-6,11-12,18,32H,7-10,13-15H2/t18-/m0/s1
InChIKeyCLNLVKQGYUZRIC-SFHVURJKSA-N
MW497.49 g/mol
LogP1.08
Rot. Bonds6

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

(5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 73355583) has the molecular formula C23H24FN7O5 and a molecular weight of 497.49 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID73355583
Molecular FormulaC23H24FN7O5
Molecular Weight497.49 g/mol
Exact Mass497.18
IUPAC Name(5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C(CO)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CCO1
InChIInChI=1S/C23H24FN7O5/c24-20-11-17(30-14-18(36-23(30)34)13-29-6-5-26-27-29)2-3-19(20)16-1-4-21(25-12-16)28-7-8-31(22(33)15-32)35-10-9-28/h1-6,11-12,18,32H,7-10,13-15H2/t18-/m0/s1
InChIKeyCLNLVKQGYUZRIC-SFHVURJKSA-N
XLogP1.08
TPSA126.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.49
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-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-[6-(nitrosomethyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 91314521
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230
(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-[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
(5R)-3-[3-fluoro-4-[2-fluoro-4-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59749414
3-[4-[4-[5,5-bis(hydroxymethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 73086611
(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
(5R)-3-[3-fluoro-4-[6-[1-(2-hydroxyethyl)tetrazol-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 10072495
(5R)-3-[3-fluoro-4-[6-[4-(4-methylpiperazin-1-yl)butanoyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626282
5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-N-methyl-1,2,5-oxadiazepane-2-carboxamide
CID 59531433
(5R)-3-[3,5-difluoro-4-[2-(2-hydroxybenzoyl)-1,2,5-oxadiazepan-5-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59531620
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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 73355583) is (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C(CO)N1CCN(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)CCO1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is CLNLVKQGYUZRIC-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24FN7O5/c24-20-11-17(30-14-18(36-23(30)34)13-29-6-5-26-27-29)2-3-19(20)16-1-4-21(25-12-16)28-7-8-31(22(33)15-32)35-10-9-28/h1-6,11-12,18,32H,7-10,13-15H2/t18-/m0/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 497.49 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[6-[2-(2-hydroxyacetyl)-1,2,5-oxadiazepan-5-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 73355583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).