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

C19H19FN6O2 — CID 71560157

IUPAC2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile
SMILESN#CCC1=CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1
InChIInChI=1S/C19H19FN6O2/c20-17-11-15(1-2-18(17)24-8-4-14(3-6-21)5-9-24)26-13-16(28-19(26)27)12-25-10-7-22-23-25/h1-2,4,7,10-11,16H,3,5,8-9,12-13H2/t16-/m0/s1
InChIKeyATLNIYICEDCRBJ-INIZCTEOSA-N
MW382.40 g/mol
LogP2.49
Rot. Bonds5

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

2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile (PubChem CID 71560157) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile
PubChem CID71560157
Molecular FormulaC19H19FN6O2
Molecular Weight382.40 g/mol
Exact Mass382.16
IUPAC Name2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile
SMILESN#CCC1=CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1
InChIInChI=1S/C19H19FN6O2/c20-17-11-15(1-2-18(17)24-8-4-14(3-6-21)5-9-24)26-13-16(28-19(26)27)12-25-10-7-22-23-25/h1-2,4,7,10-11,16H,3,5,8-9,12-13H2/t16-/m0/s1
InChIKeyATLNIYICEDCRBJ-INIZCTEOSA-N
XLogP2.49
TPSA87.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile?
The IUPAC name of 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile (CID 71560157) is 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile?
The canonical SMILES for 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile is N#CCC1=CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1.
What is the InChIKey of 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile?
The InChIKey is ATLNIYICEDCRBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19FN6O2/c20-17-11-15(1-2-18(17)24-8-4-14(3-6-21)5-9-24)26-13-16(28-19(26)27)12-25-10-7-22-23-25/h1-2,4,7,10-11,16H,3,5,8-9,12-13H2/t16-/m0/s1.
What are the key properties of 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile?
2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile has a molecular weight of 382.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-3,6-dihydro-2H-pyridin-4-yl]acetonitrile is sourced from PubChem (CID 71560157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).