3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one

C17H15FN6O2 — CID 23438490

IUPAC3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15FN6O2/c1-10-9-24(17(25)26-10)12-4-5-13(14(18)7-12)11-3-6-15(19-8-11)16-20-21-22-23(16)2/h3-8,10H,9H2,1-2H3
InChIKeyIVTRBVUBYRLWRG-UHFFFAOYSA-N
MW354.35 g/mol
LogP2.42
Rot. Bonds3

About 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one

3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 23438490) has the molecular formula C17H15FN6O2 and a molecular weight of 354.35 g/mol. Its IUPAC name is 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID23438490
Molecular FormulaC17H15FN6O2
Molecular Weight354.35 g/mol
Exact Mass354.12
IUPAC Name3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
SMILESCC1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H15FN6O2/c1-10-9-24(17(25)26-10)12-4-5-13(14(18)7-12)11-3-6-15(19-8-11)16-20-21-22-23(16)2/h3-8,10H,9H2,1-2H3
InChIKeyIVTRBVUBYRLWRG-UHFFFAOYSA-N
XLogP2.42
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one (CID 23438490) is 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one is CC1CN(c2ccc(-c3ccc(-c4nnnn4C)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is IVTRBVUBYRLWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O2/c1-10-9-24(17(25)26-10)12-4-5-13(14(18)7-12)11-3-6-15(19-8-11)16-20-21-22-23(16)2/h3-8,10H,9H2,1-2H3.
What are the key properties of 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one?
3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 354.35 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-[6-(1-methyltetrazol-5-yl)-3-pyridinyl]phenyl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23438490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).