2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol

C20H23FN4O2 — CID 170157555

IUPAC2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol
SMILESCCN1CCC[C@@H](Nc2nc3nc(-c4c(C)cc(F)cc4O)ccc3o2)C1
InChIInChI=1S/C20H23FN4O2/c1-3-25-8-4-5-14(11-25)22-20-24-19-17(27-20)7-6-15(23-19)18-12(2)9-13(21)10-16(18)26/h6-7,9-10,14,26H,3-5,8,11H2,1-2H3,(H,22,23,24)/t14-/m1/s1
InChIKeyQXVVPVQDJIRNCA-CQSZACIVSA-N
MW370.43 g/mol
LogP3.94
Rot. Bonds4

About 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol

2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol (PubChem CID 170157555) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol.

Molecular Properties

Compound Name2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol
PubChem CID170157555
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol
SMILESCCN1CCC[C@@H](Nc2nc3nc(-c4c(C)cc(F)cc4O)ccc3o2)C1
InChIInChI=1S/C20H23FN4O2/c1-3-25-8-4-5-14(11-25)22-20-24-19-17(27-20)7-6-15(23-19)18-12(2)9-13(21)10-16(18)26/h6-7,9-10,14,26H,3-5,8,11H2,1-2H3,(H,22,23,24)/t14-/m1/s1
InChIKeyQXVVPVQDJIRNCA-CQSZACIVSA-N
XLogP3.94
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol?
The IUPAC name of 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol (CID 170157555) is 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol.
What is the SMILES notation for 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol?
The canonical SMILES for 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol is CCN1CCC[C@@H](Nc2nc3nc(-c4c(C)cc(F)cc4O)ccc3o2)C1.
What is the InChIKey of 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol?
The InChIKey is QXVVPVQDJIRNCA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-3-25-8-4-5-14(11-25)22-20-24-19-17(27-20)7-6-15(23-19)18-12(2)9-13(21)10-16(18)26/h6-7,9-10,14,26H,3-5,8,11H2,1-2H3,(H,22,23,24)/t14-/m1/s1.
What are the key properties of 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol?
2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol has a molecular weight of 370.43 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3R)-1-ethylpiperidin-3-yl]amino]-[1,3]oxazolo[4,5-b]pyridin-5-yl]-5-fluoro-3-methylphenol is sourced from PubChem (CID 170157555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).