3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine

C19H14N4O4 — CID 95763196

IUPAC3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESc1ccc2c(c1)OC[C@@H](c1nnc(-c3cnc4onc(C5CC5)c4c3)o1)O2
InChIInChI=1S/C19H14N4O4/c1-2-4-14-13(3-1)24-9-15(25-14)19-22-21-17(26-19)11-7-12-16(10-5-6-10)23-27-18(12)20-8-11/h1-4,7-8,10,15H,5-6,9H2/t15-/m0/s1
InChIKeyJSRHBCFWZPMPNY-HNNXBMFYSA-N
MW362.35 g/mol
LogP3.66
Rot. Bonds3

About 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine

3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 95763196) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID95763196
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESc1ccc2c(c1)OC[C@@H](c1nnc(-c3cnc4onc(C5CC5)c4c3)o1)O2
InChIInChI=1S/C19H14N4O4/c1-2-4-14-13(3-1)24-9-15(25-14)19-22-21-17(26-19)11-7-12-16(10-5-6-10)23-27-18(12)20-8-11/h1-4,7-8,10,15H,5-6,9H2/t15-/m0/s1
InChIKeyJSRHBCFWZPMPNY-HNNXBMFYSA-N
XLogP3.66
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine with MolForge

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Related Compounds

3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 95618377
3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 56785780
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]-1,3,4-oxadiazole
CID 166197678
2-chloro-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 114771029
3-cyclopropyl-5-[5-(4-ethoxy-3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 56804581
2-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-5-[(3S)-oxolan-3-yl]-1,3,4-oxadiazole
CID 129489389
3-cyclopropyl-5-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 56804615
3-cyclopropyl-5-[5-[1-(4-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 56804602
potassium 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole-2-thiolate
CID 146020826
3-cyclopropyl-5-[5-[1-(4-ethoxyphenoxy)ethyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
CID 56804599
2-(chloromethyl)-5-(2,3-dihydro-1,4-benzodioxin-3-yl)-1,3,4-oxadiazole
CID 5190640
2-(cyclohexylmethylsulfanyl)-5-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazole
CID 94873297

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 95763196) is 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is c1ccc2c(c1)OC[C@@H](c1nnc(-c3cnc4onc(C5CC5)c4c3)o1)O2.
What is the InChIKey of 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is JSRHBCFWZPMPNY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H14N4O4/c1-2-4-14-13(3-1)24-9-15(25-14)19-22-21-17(26-19)11-7-12-16(10-5-6-10)23-27-18(12)20-8-11/h1-4,7-8,10,15H,5-6,9H2/t15-/m0/s1.
What are the key properties of 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 362.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 95763196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).