8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one

C15H10F3N7O3 — CID 176650246

IUPAC8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESO=c1n(CCOC(F)(F)F)nnc2c(-c3ncc(-c4ccncc4)o3)ncn12
InChIInChI=1S/C15H10F3N7O3/c16-15(17,18)27-6-5-25-14(26)24-8-21-11(12(24)22-23-25)13-20-7-10(28-13)9-1-3-19-4-2-9/h1-4,7-8H,5-6H2
InChIKeyQIUUXJCKWDIVKH-UHFFFAOYSA-N
MW393.29 g/mol
LogP1.54
Rot. Bonds5

About 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one

8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 176650246) has the molecular formula C15H10F3N7O3 and a molecular weight of 393.29 g/mol. Its IUPAC name is 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID176650246
Molecular FormulaC15H10F3N7O3
Molecular Weight393.29 g/mol
Exact Mass393.08
IUPAC Name8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESO=c1n(CCOC(F)(F)F)nnc2c(-c3ncc(-c4ccncc4)o3)ncn12
InChIInChI=1S/C15H10F3N7O3/c16-15(17,18)27-6-5-25-14(26)24-8-21-11(12(24)22-23-25)13-20-7-10(28-13)9-1-3-19-4-2-9/h1-4,7-8H,5-6H2
InChIKeyQIUUXJCKWDIVKH-UHFFFAOYSA-N
XLogP1.54
TPSA113.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 176650246) is 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one is O=c1n(CCOC(F)(F)F)nnc2c(-c3ncc(-c4ccncc4)o3)ncn12.
What is the InChIKey of 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is QIUUXJCKWDIVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7O3/c16-15(17,18)27-6-5-25-14(26)24-8-21-11(12(24)22-23-25)13-20-7-10(28-13)9-1-3-19-4-2-9/h1-4,7-8H,5-6H2.
What are the key properties of 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one?
8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 393.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-pyridin-4-yl-1,3-oxazol-2-yl)-3-[2-(trifluoromethoxy)ethyl]imidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 176650246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).