3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C23H25FN6O2 — CID 154960708

IUPAC3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(-c2ccc([C@H](C)Nc3ncnc(N4C(=O)OCC4C(C)C)n3)nc2)ccc1F
InChIInChI=1S/C23H25FN6O2/c1-13(2)20-11-32-23(31)30(20)22-27-12-26-21(29-22)28-15(4)19-8-6-17(10-25-19)16-5-7-18(24)14(3)9-16/h5-10,12-13,15,20H,11H2,1-4H3,(H,26,27,28,29)/t15-,20?/m0/s1
InChIKeyLYISTRBYNKNMAJ-OOJLDXBWSA-N
MW436.49 g/mol
LogP4.54
Rot. Bonds6

About 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 154960708) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID154960708
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCc1cc(-c2ccc([C@H](C)Nc3ncnc(N4C(=O)OCC4C(C)C)n3)nc2)ccc1F
InChIInChI=1S/C23H25FN6O2/c1-13(2)20-11-32-23(31)30(20)22-27-12-26-21(29-22)28-15(4)19-8-6-17(10-25-19)16-5-7-18(24)14(3)9-16/h5-10,12-13,15,20H,11H2,1-4H3,(H,26,27,28,29)/t15-,20?/m0/s1
InChIKeyLYISTRBYNKNMAJ-OOJLDXBWSA-N
XLogP4.54
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 154960708) is 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is Cc1cc(-c2ccc([C@H](C)Nc3ncnc(N4C(=O)OCC4C(C)C)n3)nc2)ccc1F.
What is the InChIKey of 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is LYISTRBYNKNMAJ-OOJLDXBWSA-N. The full InChI is InChI=1S/C23H25FN6O2/c1-13(2)20-11-32-23(31)30(20)22-27-12-26-21(29-22)28-15(4)19-8-6-17(10-25-19)16-5-7-18(24)14(3)9-16/h5-10,12-13,15,20H,11H2,1-4H3,(H,26,27,28,29)/t15-,20?/m0/s1.
What are the key properties of 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 436.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethyl]amino]-1,3,5-triazin-2-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).