(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

C17H19N5O2 — CID 129397169

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)o1
InChIInChI=1S/C17H19N5O2/c1-11-15(24-12(2)18-11)17(23)21-9-6-13(7-10-21)16-20-19-14-5-3-4-8-22(14)16/h3-5,8,13H,6-7,9-10H2,1-2H3
InChIKeyLMWAJUSJHWDPDV-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.35
Rot. Bonds2

About (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 129397169) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID129397169
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)o1
InChIInChI=1S/C17H19N5O2/c1-11-15(24-12(2)18-11)17(23)21-9-6-13(7-10-21)16-20-19-14-5-3-4-8-22(14)16/h3-5,8,13H,6-7,9-10H2,1-2H3
InChIKeyLMWAJUSJHWDPDV-UHFFFAOYSA-N
XLogP2.35
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,5-dimethylphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 31741749
1-benzofuran-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42569763
(3-methylthiophen-2-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46524423
(6-methyl-3-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35899826
[1,2]oxazolo[3,4-b]pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 138810806
(3,5-dimethoxyphenyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 42570360
pyridin-3-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 43018368
4,6-dimethyl-3-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 70774566
pyrazin-2-yl-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35897297
(3-methyl-1-benzofuran-2-yl)-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 17488890
[(2R)-oxolan-2-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 35896294
(2-chloro-4-pyridinyl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 46576736

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 129397169) is (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC(c3nnc4ccccn34)CC2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is LMWAJUSJHWDPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-15(24-12(2)18-11)17(23)21-9-6-13(7-10-21)16-20-19-14-5-3-4-8-22(14)16/h3-5,8,13H,6-7,9-10H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 325.37 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129397169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).