2-[[(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]methoxy]acetonitrile

About 2-[[(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]methoxy]acetonitrile

2-[[(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]methoxy]acetonitrile (PubChem CID 11533045) has the molecular formula C23H20FN7O4 and a molecular weight of 477.46 g/mol. Its IUPAC name is 2-[[(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]methoxy]acetonitrile.

Molecular Properties

Compound Name	2-[[(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]methoxy]acetonitrile
PubChem CID	11533045
Molecular Formula	C23H20FN7O4
Molecular Weight	477.46 g/mol
Exact Mass	477.16
IUPAC Name	2-[[(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]methoxy]acetonitrile
SMILES	N#CCOC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
InChI	InChI=1S/C23H20FN7O4/c24-20-9-16(31-13-18(34-23(31)32)12-30-7-6-27-29-30)2-3-19(20)15-1-4-21(26-11-15)22-10-17(35-28-22)14-33-8-5-25/h1-4,6-7,9,11,17-18H,8,10,12-14H2/t17-,18-/m0/s1
InChIKey	NCISIPHSOURNOF-ROUUACIJSA-N
XLogP	2.54
TPSA	127.75 Å²
H-Bond Donors
H-Bond Acceptors	10
Rotatable Bonds	8
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.46
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[[(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]methoxy]acetonitrile?

The IUPAC name of 2-[[(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]methoxy]acetonitrile (CID 11533045) is 2-[[(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]methoxy]acetonitrile.

What is the SMILES notation for 2-[[(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]methoxy]acetonitrile?

The canonical SMILES for 2-[[(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]methoxy]acetonitrile is N#CCOC[C@@H]1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.

What is the InChIKey of 2-[[(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]methoxy]acetonitrile?

The InChIKey is NCISIPHSOURNOF-ROUUACIJSA-N. The full InChI is InChI=1S/C23H20FN7O4/c24-20-9-16(31-13-18(34-23(31)32)12-30-7-6-27-29-30)2-3-19(20)15-1-4-21(26-11-15)22-10-17(35-28-22)14-33-8-5-25/h1-4,6-7,9,11,17-18H,8,10,12-14H2/t17-,18-/m0/s1.

What are the key properties of 2-[[(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]methoxy]acetonitrile?

2-[[(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]methoxy]acetonitrile has a molecular weight of 477.46 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(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]methoxy]acetonitrile is sourced from PubChem (CID 11533045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).