3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole

C17H19N5O2 — CID 72868903

IUPAC3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(C2CCOCC2)nn1-c1cccnc1
InChIInChI=1S/C17H19N5O2/c1-11-15(12(2)24-21-11)17-19-16(13-5-8-23-9-6-13)20-22(17)14-4-3-7-18-10-14/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyCEHOEOLZMXNUOI-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.83
Rot. Bonds3

About 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole

3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole (PubChem CID 72868903) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole
PubChem CID72868903
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1nc(C2CCOCC2)nn1-c1cccnc1
InChIInChI=1S/C17H19N5O2/c1-11-15(12(2)24-21-11)17-19-16(13-5-8-23-9-6-13)20-22(17)14-4-3-7-18-10-14/h3-4,7,10,13H,5-6,8-9H2,1-2H3
InChIKeyCEHOEOLZMXNUOI-UHFFFAOYSA-N
XLogP2.83
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole (CID 72868903) is 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole is Cc1noc(C)c1-c1nc(C2CCOCC2)nn1-c1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole?
The InChIKey is CEHOEOLZMXNUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-15(12(2)24-21-11)17-19-16(13-5-8-23-9-6-13)20-22(17)14-4-3-7-18-10-14/h3-4,7,10,13H,5-6,8-9H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole?
3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole has a molecular weight of 325.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[5-(oxan-4-yl)-2-pyridin-3-yl-1,2,4-triazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 72868903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).