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

C18H14N4O2 — CID 56785780

IUPAC3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1cccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)c1
InChIInChI=1S/C18H14N4O2/c1-10-3-2-4-12(7-10)16-20-21-17(23-16)13-8-14-15(11-5-6-11)22-24-18(14)19-9-13/h2-4,7-9,11H,5-6H2,1H3
InChIKeyKTROXQNVWOXPRY-UHFFFAOYSA-N
MW318.34 g/mol
LogP4.13
Rot. Bonds3

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

3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 56785780) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
PubChem CID56785780
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1cccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)c1
InChIInChI=1S/C18H14N4O2/c1-10-3-2-4-12(7-10)16-20-21-17(23-16)13-8-14-15(11-5-6-11)22-24-18(14)19-9-13/h2-4,7-9,11H,5-6H2,1H3
InChIKeyKTROXQNVWOXPRY-UHFFFAOYSA-N
XLogP4.13
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 54.13
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-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine (CID 56785780) is 3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is Cc1cccc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)c1.
What is the InChIKey of 3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is KTROXQNVWOXPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-10-3-2-4-12(7-10)16-20-21-17(23-16)13-8-14-15(11-5-6-11)22-24-18(14)19-9-13/h2-4,7-9,11H,5-6H2,1H3.
What are the key properties of 3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine?
3-cyclopropyl-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 318.34 g/mol, XLogP of 4.13, 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-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 56785780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).