3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

C17H15N5O3 — CID 134190190

IUPAC3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(OCC5COC5)noc4c3)n[nH]c2c1
InChIInChI=1S/C17H15N5O3/c1-2-13-15(18-5-1)16(21-20-13)19-11-3-4-12-14(6-11)25-22-17(12)24-9-10-7-23-8-10/h1-6,10H,7-9H2,(H2,19,20,21)
InChIKeyLYXVSMYSBGIKQY-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.87
Rot. Bonds5

About 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine

3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (PubChem CID 134190190) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.

Molecular Properties

Compound Name3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
PubChem CID134190190
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
SMILESc1cnc2c(Nc3ccc4c(OCC5COC5)noc4c3)n[nH]c2c1
InChIInChI=1S/C17H15N5O3/c1-2-13-15(18-5-1)16(21-20-13)19-11-3-4-12-14(6-11)25-22-17(12)24-9-10-7-23-8-10/h1-6,10H,7-9H2,(H2,19,20,21)
InChIKeyLYXVSMYSBGIKQY-UHFFFAOYSA-N
XLogP2.87
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The IUPAC name of 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine (CID 134190190) is 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine.
What is the SMILES notation for 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The canonical SMILES for 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is c1cnc2c(Nc3ccc4c(OCC5COC5)noc4c3)n[nH]c2c1.
What is the InChIKey of 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
The InChIKey is LYXVSMYSBGIKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-2-13-15(18-5-1)16(21-20-13)19-11-3-4-12-14(6-11)25-22-17(12)24-9-10-7-23-8-10/h1-6,10H,7-9H2,(H2,19,20,21).
What are the key properties of 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine?
3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine has a molecular weight of 337.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxetan-3-ylmethoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine is sourced from PubChem (CID 134190190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).