(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

C19H16N6O2 — CID 75473439

IUPAC(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESCc1noc2ncc(C(=O)N3CC(n4cc(-c5ccccc5)nn4)C3)cc12
InChIInChI=1S/C19H16N6O2/c1-12-16-7-14(8-20-18(16)27-22-12)19(26)24-9-15(10-24)25-11-17(21-23-25)13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3
InChIKeyZDICZPJCGJYLRS-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.49
Rot. Bonds3

About (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone

(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (PubChem CID 75473439) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
PubChem CID75473439
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
SMILESCc1noc2ncc(C(=O)N3CC(n4cc(-c5ccccc5)nn4)C3)cc12
InChIInChI=1S/C19H16N6O2/c1-12-16-7-14(8-20-18(16)27-22-12)19(26)24-9-15(10-24)25-11-17(21-23-25)13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3
InChIKeyZDICZPJCGJYLRS-UHFFFAOYSA-N
XLogP2.49
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The IUPAC name of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone (CID 75473439) is (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is Cc1noc2ncc(C(=O)N3CC(n4cc(-c5ccccc5)nn4)C3)cc12.
What is the InChIKey of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
The InChIKey is ZDICZPJCGJYLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-12-16-7-14(8-20-18(16)27-22-12)19(26)24-9-15(10-24)25-11-17(21-23-25)13-5-3-2-4-6-13/h2-8,11,15H,9-10H2,1H3.
What are the key properties of (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone?
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone has a molecular weight of 360.38 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 75473439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).