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

C15H14N4O2 — CID 95618377

IUPAC3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESC[C@H]1C[C@H]1c1nnc(-c2cnc3onc(C4CC4)c3c2)o1
InChIInChI=1S/C15H14N4O2/c1-7-4-10(7)15-18-17-13(20-15)9-5-11-12(8-2-3-8)19-21-14(11)16-6-9/h5-8,10H,2-4H2,1H3/t7-,10+/m0/s1
InChIKeyPFSMFEUGNYCGNW-OIBJUYFYSA-N
MW282.30 g/mol
LogP3.27
Rot. Bonds3

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

3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 95618377) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID95618377
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESC[C@H]1C[C@H]1c1nnc(-c2cnc3onc(C4CC4)c3c2)o1
InChIInChI=1S/C15H14N4O2/c1-7-4-10(7)15-18-17-13(20-15)9-5-11-12(8-2-3-8)19-21-14(11)16-6-9/h5-8,10H,2-4H2,1H3/t7-,10+/m0/s1
InChIKeyPFSMFEUGNYCGNW-OIBJUYFYSA-N
XLogP3.27
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 95618377) is 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is C[C@H]1C[C@H]1c1nnc(-c2cnc3onc(C4CC4)c3c2)o1.
What is the InChIKey of 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is PFSMFEUGNYCGNW-OIBJUYFYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-7-4-10(7)15-18-17-13(20-15)9-5-11-12(8-2-3-8)19-21-14(11)16-6-9/h5-8,10H,2-4H2,1H3/t7-,10+/m0/s1.
What are the key properties of 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 282.30 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[5-[(1R,2S)-2-methylcyclopropyl]-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 95618377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).