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

C21H19N5O2 — CID 138682131

IUPAC3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCC(Oc1ccc(Cc2cc(-c3cccnc3N)on2)cn1)c1ccccn1
InChIInChI=1S/C21H19N5O2/c1-14(18-6-2-3-9-23-18)27-20-8-7-15(13-25-20)11-16-12-19(28-26-16)17-5-4-10-24-21(17)22/h2-10,12-14H,11H2,1H3,(H2,22,24)
InChIKeyRFRXBTHTWISKSP-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.84
Rot. Bonds6

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

3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (PubChem CID 138682131) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
PubChem CID138682131
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine
SMILESCC(Oc1ccc(Cc2cc(-c3cccnc3N)on2)cn1)c1ccccn1
InChIInChI=1S/C21H19N5O2/c1-14(18-6-2-3-9-23-18)27-20-8-7-15(13-25-20)11-16-12-19(28-26-16)17-5-4-10-24-21(17)22/h2-10,12-14H,11H2,1H3,(H2,22,24)
InChIKeyRFRXBTHTWISKSP-UHFFFAOYSA-N
XLogP3.84
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The IUPAC name of 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine (CID 138682131) is 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine.
What is the SMILES notation for 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The canonical SMILES for 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is CC(Oc1ccc(Cc2cc(-c3cccnc3N)on2)cn1)c1ccccn1.
What is the InChIKey of 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
The InChIKey is RFRXBTHTWISKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14(18-6-2-3-9-23-18)27-20-8-7-15(13-25-20)11-16-12-19(28-26-16)17-5-4-10-24-21(17)22/h2-10,12-14H,11H2,1H3,(H2,22,24).
What are the key properties of 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine?
3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine has a molecular weight of 373.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[6-(1-pyridin-2-ylethoxy)-3-pyridinyl]methyl]-1,2-oxazol-5-yl]pyridin-2-amine is sourced from PubChem (CID 138682131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).