3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

C19H16N4O3 — CID 138682459

IUPAC3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCc3ccoc3)nc2)no1
InChIInChI=1S/C19H16N4O3/c20-19-16(2-1-6-21-19)17-9-15(23-26-17)8-13-3-4-18(22-10-13)25-12-14-5-7-24-11-14/h1-7,9-11H,8,12H2,(H2,20,21)
InChIKeyIIXAVUAEXSHBOV-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.48
Rot. Bonds6

About 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine

3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682459) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682459
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCc3ccoc3)nc2)no1
InChIInChI=1S/C19H16N4O3/c20-19-16(2-1-6-21-19)17-9-15(23-26-17)8-13-3-4-18(22-10-13)25-12-14-5-7-24-11-14/h1-7,9-11H,8,12H2,(H2,20,21)
InChIKeyIIXAVUAEXSHBOV-UHFFFAOYSA-N
XLogP3.48
TPSA100.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682459) is 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(OCc3ccoc3)nc2)no1.
What is the InChIKey of 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is IIXAVUAEXSHBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c20-19-16(2-1-6-21-19)17-9-15(23-26-17)8-13-3-4-18(22-10-13)25-12-14-5-7-24-11-14/h1-7,9-11H,8,12H2,(H2,20,21).
What are the key properties of 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 348.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(furan-3-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).