3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C17H15N5O2 — CID 69242871

IUPAC3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H15N5O2/c23-17-22(12-16(24-17)11-21-9-8-19-20-21)15-5-3-13(4-6-15)14-2-1-7-18-10-14/h1-10,16H,11-12H2
InChIKeyJRHZVZIHTHKAKT-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.37
Rot. Bonds4

About 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 69242871) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID69242871
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(Cn2ccnn2)CN1c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C17H15N5O2/c23-17-22(12-16(24-17)11-21-9-8-19-20-21)15-5-3-13(4-6-15)14-2-1-7-18-10-14/h1-10,16H,11-12H2
InChIKeyJRHZVZIHTHKAKT-UHFFFAOYSA-N
XLogP2.37
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 69242871) is 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1OC(Cn2ccnn2)CN1c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is JRHZVZIHTHKAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-17-22(12-16(24-17)11-21-9-8-19-20-21)15-5-3-13(4-6-15)14-2-1-7-18-10-14/h1-10,16H,11-12H2.
What are the key properties of 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 321.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69242871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).