3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

C21H17N3O3S — CID 45221972

IUPAC3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1cccnc1)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C21H17N3O3S/c25-28(26,16-7-4-11-22-13-16)24-12-10-20-19(14-24)21(23-27-20)18-9-3-6-15-5-1-2-8-17(15)18/h1-9,11,13H,10,12,14H2
InChIKeyNDGNIPPXEFLNQT-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.64
Rot. Bonds3

About 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine

3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (PubChem CID 45221972) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.

Molecular Properties

Compound Name3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
PubChem CID45221972
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
SMILESO=S(=O)(c1cccnc1)N1CCc2onc(-c3cccc4ccccc34)c2C1
InChIInChI=1S/C21H17N3O3S/c25-28(26,16-7-4-11-22-13-16)24-12-10-20-19(14-24)21(23-27-20)18-9-3-6-15-5-1-2-8-17(15)18/h1-9,11,13H,10,12,14H2
InChIKeyNDGNIPPXEFLNQT-UHFFFAOYSA-N
XLogP3.64
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The IUPAC name of 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine (CID 45221972) is 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine.
What is the SMILES notation for 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The canonical SMILES for 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is O=S(=O)(c1cccnc1)N1CCc2onc(-c3cccc4ccccc34)c2C1.
What is the InChIKey of 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
The InChIKey is NDGNIPPXEFLNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c25-28(26,16-7-4-11-22-13-16)24-12-10-20-19(14-24)21(23-27-20)18-9-3-6-15-5-1-2-8-17(15)18/h1-9,11,13H,10,12,14H2.
What are the key properties of 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine?
3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine has a molecular weight of 391.45 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine is sourced from PubChem (CID 45221972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).