7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C16H17N3O5S — CID 122072680

IUPAC7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2S(=O)(=O)c1cnc2onc(C3CC3)c2c1
InChIInChI=1S/C16H17N3O5S/c20-16(21)11-5-9-3-4-13(11)19(9)25(22,23)10-6-12-14(8-1-2-8)18-24-15(12)17-7-10/h6-9,11,13H,1-5H2,(H,20,21)
InChIKeyRDGPZYNXPNBDBR-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.73
Rot. Bonds4

About 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 122072680) has the molecular formula C16H17N3O5S and a molecular weight of 363.40 g/mol. Its IUPAC name is 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID122072680
Molecular FormulaC16H17N3O5S
Molecular Weight363.40 g/mol
Exact Mass363.09
IUPAC Name7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1CC2CCC1N2S(=O)(=O)c1cnc2onc(C3CC3)c2c1
InChIInChI=1S/C16H17N3O5S/c20-16(21)11-5-9-3-4-13(11)19(9)25(22,23)10-6-12-14(8-1-2-8)18-24-15(12)17-7-10/h6-9,11,13H,1-5H2,(H,20,21)
InChIKeyRDGPZYNXPNBDBR-UHFFFAOYSA-N
XLogP1.73
TPSA113.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 122072680) is 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1CC2CCC1N2S(=O)(=O)c1cnc2onc(C3CC3)c2c1.
What is the InChIKey of 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is RDGPZYNXPNBDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5S/c20-16(21)11-5-9-3-4-13(11)19(9)25(22,23)10-6-12-14(8-1-2-8)18-24-15(12)17-7-10/h6-9,11,13H,1-5H2,(H,20,21).
What are the key properties of 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 363.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 122072680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).