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

C19H16N4O2S — CID 138682443

IUPAC3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCc3cccs3)nc2)no1
InChIInChI=1S/C19H16N4O2S/c20-19-16(4-1-7-21-19)17-10-14(23-25-17)9-13-5-6-18(22-11-13)24-12-15-3-2-8-26-15/h1-8,10-11H,9,12H2,(H2,20,21)
InChIKeyHIWNGTNZLBXKSP-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.95
Rot. Bonds6

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

3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682443) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682443
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESNc1ncccc1-c1cc(Cc2ccc(OCc3cccs3)nc2)no1
InChIInChI=1S/C19H16N4O2S/c20-19-16(4-1-7-21-19)17-10-14(23-25-17)9-13-5-6-18(22-11-13)24-12-15-3-2-8-26-15/h1-8,10-11H,9,12H2,(H2,20,21)
InChIKeyHIWNGTNZLBXKSP-UHFFFAOYSA-N
XLogP3.95
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682443) is 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is Nc1ncccc1-c1cc(Cc2ccc(OCc3cccs3)nc2)no1.
What is the InChIKey of 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is HIWNGTNZLBXKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c20-19-16(4-1-7-21-19)17-10-14(23-25-17)9-13-5-6-18(22-11-13)24-12-15-3-2-8-26-15/h1-8,10-11H,9,12H2,(H2,20,21).
What are the key properties of 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 364.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(thiophen-2-ylmethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).