[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

C15H16N8O3 — CID 170512709

About [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone

[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 170512709) has the molecular formula C15H16N8O3 and a molecular weight of 356.35 g/mol. Its IUPAC name is [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

• Compound Name: [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
• PubChem CID: 170512709
• Molecular Formula: C15H16N8O3
• Molecular Weight: 356.35 g/mol
• Exact Mass: 356.13
• IUPAC Name: [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone
• SMILES: O=C(c1cc(-n2cnnn2)n[nH]1)N1CCc2oc(C3CCOC3)nc2C1
• InChI: InChI=1S/C15H16N8O3/c24-15(10-5-13(19-18-10)23-8-16-20-21-23)22-3-1-12-11(6-22)17-14(26-12)9-2-4-25-7-9/h5,8-9H,1-4,6-7H2,(H,18,19)
• InChIKey: DJOLXSWTQIVTNC-UHFFFAOYSA-N
• XLogP: 0.08
• TPSA: 127.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.35
LogP ≤ 5	0.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?

The IUPAC name of [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone (CID 170512709) is [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone.

What is the SMILES notation for [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?

The canonical SMILES for [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is O=C(c1cc(-n2cnnn2)n[nH]1)N1CCc2oc(C3CCOC3)nc2C1.

What is the InChIKey of [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?

The InChIKey is DJOLXSWTQIVTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8O3/c24-15(10-5-13(19-18-10)23-8-16-20-21-23)22-3-1-12-11(6-22)17-14(26-12)9-2-4-25-7-9/h5,8-9H,1-4,6-7H2,(H,18,19).

What are the key properties of [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone?

[2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 356.35 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(oxolan-3-yl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-[3-(tetrazol-1-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 170512709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).