N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

C25H23FN4O2 — CID 92572918

IUPACN-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESFc1cccc(Nc2noc3c2CN(Cc2ccccc2OCc2cccnc2)CC3)c1
InChIInChI=1S/C25H23FN4O2/c26-20-7-3-8-21(13-20)28-25-22-16-30(12-10-24(22)32-29-25)15-19-6-1-2-9-23(19)31-17-18-5-4-11-27-14-18/h1-9,11,13-14H,10,12,15-17H2,(H,28,29)
InChIKeyQQSOFVJZGFNLNL-UHFFFAOYSA-N
MW430.48 g/mol
LogP5.09
Rot. Bonds7

About N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine

N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (PubChem CID 92572918) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
PubChem CID92572918
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC NameN-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
SMILESFc1cccc(Nc2noc3c2CN(Cc2ccccc2OCc2cccnc2)CC3)c1
InChIInChI=1S/C25H23FN4O2/c26-20-7-3-8-21(13-20)28-25-22-16-30(12-10-24(22)32-29-25)15-19-6-1-2-9-23(19)31-17-18-5-4-11-27-14-18/h1-9,11,13-14H,10,12,15-17H2,(H,28,29)
InChIKeyQQSOFVJZGFNLNL-UHFFFAOYSA-N
XLogP5.09
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.48
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The IUPAC name of N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine (CID 92572918) is N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine.
What is the SMILES notation for N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The canonical SMILES for N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is Fc1cccc(Nc2noc3c2CN(Cc2ccccc2OCc2cccnc2)CC3)c1.
What is the InChIKey of N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
The InChIKey is QQSOFVJZGFNLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-20-7-3-8-21(13-20)28-25-22-16-30(12-10-24(22)32-29-25)15-19-6-1-2-9-23(19)31-17-18-5-4-11-27-14-18/h1-9,11,13-14H,10,12,15-17H2,(H,28,29).
What are the key properties of N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine?
N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine has a molecular weight of 430.48 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine is sourced from PubChem (CID 92572918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).