N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C14H19N5O3 — CID 146134712

IUPACN-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCCc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C14H19N5O3/c1-3-10-13(9(2)22-17-10)15-12(20)8-19-14(21)18-7-5-4-6-11(18)16-19/h3-8H2,1-2H3,(H,15,20)
InChIKeyUNFDIGQXWLOWQE-UHFFFAOYSA-N
MW305.34 g/mol
LogP0.88
Rot. Bonds4

About N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 146134712) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID146134712
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC NameN-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCCc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2
InChIInChI=1S/C14H19N5O3/c1-3-10-13(9(2)22-17-10)15-12(20)8-19-14(21)18-7-5-4-6-11(18)16-19/h3-8H2,1-2H3,(H,15,20)
InChIKeyUNFDIGQXWLOWQE-UHFFFAOYSA-N
XLogP0.88
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 146134712) is N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CCc1noc(C)c1NC(=O)Cn1nc2n(c1=O)CCCC2.
What is the InChIKey of N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is UNFDIGQXWLOWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-3-10-13(9(2)22-17-10)15-12(20)8-19-14(21)18-7-5-4-6-11(18)16-19/h3-8H2,1-2H3,(H,15,20).
What are the key properties of N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 305.34 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-2-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 146134712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).