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

C19H16N6O2 — CID 25280303

IUPAC1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C19H16N6O2/c26-18(11-25-12-20-22-23-25)24-9-8-17-16(10-24)19(21-27-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2
InChIKeyBGSHSDHBHRIYON-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.07
Rot. Bonds3

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

1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone (PubChem CID 25280303) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone
PubChem CID25280303
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone
SMILESO=C(Cn1cnnn1)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C19H16N6O2/c26-18(11-25-12-20-22-23-25)24-9-8-17-16(10-24)19(21-27-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2
InChIKeyBGSHSDHBHRIYON-UHFFFAOYSA-N
XLogP2.07
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone (CID 25280303) is 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone is O=C(Cn1cnnn1)N1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone?
The InChIKey is BGSHSDHBHRIYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c26-18(11-25-12-20-22-23-25)24-9-8-17-16(10-24)19(21-27-17)15-7-3-5-13-4-1-2-6-14(13)15/h1-7,12H,8-11H2.
What are the key properties of 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone?
1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone has a molecular weight of 360.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-1-yl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl)-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 25280303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).