(5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C24H21FN8O6 — CID 68546653

IUPAC(5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](Cn2ccnn2)CN1c1ccc(-c2ccc(CO[C@H]3COc4nc([N+](=O)[O-])cn4C3)nc2)c(F)c1
InChIInChI=1S/C24H21FN8O6/c25-21-7-17(32-11-18(39-24(32)34)10-31-6-5-27-29-31)3-4-20(21)15-1-2-16(26-8-15)13-37-19-9-30-12-22(33(35)36)28-23(30)38-14-19/h1-8,12,18-19H,9-11,13-14H2/t18-,19-/m1/s1
InChIKeyNMGIJCUYZBKRTN-RTBURBONSA-N
MW536.48 g/mol
LogP2.59
Rot. Bonds8

About (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 68546653) has the molecular formula C24H21FN8O6 and a molecular weight of 536.48 g/mol. Its IUPAC name is (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID68546653
Molecular FormulaC24H21FN8O6
Molecular Weight536.48 g/mol
Exact Mass536.16
IUPAC Name(5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](Cn2ccnn2)CN1c1ccc(-c2ccc(CO[C@H]3COc4nc([N+](=O)[O-])cn4C3)nc2)c(F)c1
InChIInChI=1S/C24H21FN8O6/c25-21-7-17(32-11-18(39-24(32)34)10-31-6-5-27-29-31)3-4-20(21)15-1-2-16(26-8-15)13-37-19-9-30-12-22(33(35)36)28-23(30)38-14-19/h1-8,12,18-19H,9-11,13-14H2/t18-,19-/m1/s1
InChIKeyNMGIJCUYZBKRTN-RTBURBONSA-N
XLogP2.59
TPSA152.56 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.48
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

3-[3-fluoro-4-[6-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 68546646
(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-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate
CID 68545922
ditert-butyl [(5R)-3-[3-fluoro-4-[6-[[(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxy]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl phosphate
CID 70917960
(5R)-3-[3-fluoro-4-[6-[(1S)-1-methoxyethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626437
5-(2-tert-butylsilyloxypropan-2-yl)-3-[3-fluoro-4-[4-[(2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl)oxymethyl]phenyl]phenyl]-1,3-oxazolidin-2-one
CID 131727896
(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-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11690245
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
3-[3-fluoro-4-[6-(triazol-1-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 72752230

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 68546653) is (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](Cn2ccnn2)CN1c1ccc(-c2ccc(CO[C@H]3COc4nc([N+](=O)[O-])cn4C3)nc2)c(F)c1.
What is the InChIKey of (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is NMGIJCUYZBKRTN-RTBURBONSA-N. The full InChI is InChI=1S/C24H21FN8O6/c25-21-7-17(32-11-18(39-24(32)34)10-31-6-5-27-29-31)3-4-20(21)15-1-2-16(26-8-15)13-37-19-9-30-12-22(33(35)36)28-23(30)38-14-19/h1-8,12,18-19H,9-11,13-14H2/t18-,19-/m1/s1.
What are the key properties of (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 536.48 g/mol, XLogP of 2.59, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[3-fluoro-4-[6-[[(6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-yl]oxymethyl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 68546653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).