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;N-methylethanamine

C24H28FN7O3 — CID 143143113

About 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;N-methylethanamine

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;N-methylethanamine (PubChem CID 143143113) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is 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;N-methylethanamine.

Molecular Properties

• Compound Name: 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;N-methylethanamine
• PubChem CID: 143143113
• Molecular Formula: C24H28FN7O3
• Molecular Weight: 481.53 g/mol
• Exact Mass: 481.22
• IUPAC Name: 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;N-methylethanamine
• SMILES: CC1CC(c2ccc(-c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.CCNC
• InChI: InChI=1S/C21H19FN6O3.C3H9N/c1-13-8-20(25-31-13)19-5-2-14(10-23-19)17-4-3-15(9-18(17)22)28-12-16(30-21(28)29)11-27-7-6-24-26-27;1-3-4-2/h2-7,9-10,13,16H,8,11-12H2,1H3;4H,3H2,1-2H3
• InChIKey: ZYHHYYNMQPOHEF-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 106.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.53
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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;N-methylethanamine?

The IUPAC name of 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;N-methylethanamine (CID 143143113) is 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;N-methylethanamine.

What is the SMILES notation for 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;N-methylethanamine?

The canonical SMILES for 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;N-methylethanamine is CC1CC(c2ccc(-c3ccc(N4CC(Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.CCNC.

What is the InChIKey of 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;N-methylethanamine?

The InChIKey is ZYHHYYNMQPOHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O3.C3H9N/c1-13-8-20(25-31-13)19-5-2-14(10-23-19)17-4-3-15(9-18(17)22)28-12-16(30-21(28)29)11-27-7-6-24-26-27;1-3-4-2/h2-7,9-10,13,16H,8,11-12H2,1H3;4H,3H2,1-2H3.

What are the key properties of 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;N-methylethanamine?

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;N-methylethanamine has a molecular weight of 481.53 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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;N-methylethanamine is sourced from PubChem (CID 143143113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).