N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide

C14H17N3O2 — CID 56739906

IUPACN,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)C(C)c1cccnc1
InChIInChI=1S/C14H17N3O2/c1-9-13(11(3)19-16-9)14(18)17(4)10(2)12-6-5-7-15-8-12/h5-8,10H,1-4H3
InChIKeyAGDCFCOQVPQMEP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.52
Rot. Bonds3

About N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide

N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide (PubChem CID 56739906) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide
PubChem CID56739906
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)C(C)c1cccnc1
InChIInChI=1S/C14H17N3O2/c1-9-13(11(3)19-16-9)14(18)17(4)10(2)12-6-5-7-15-8-12/h5-8,10H,1-4H3
InChIKeyAGDCFCOQVPQMEP-UHFFFAOYSA-N
XLogP2.52
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide (CID 56739906) is N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(C)C(C)c1cccnc1.
What is the InChIKey of N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is AGDCFCOQVPQMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-13(11(3)19-16-9)14(18)17(4)10(2)12-6-5-7-15-8-12/h5-8,10H,1-4H3.
What are the key properties of N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide?
N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-(1-pyridin-3-ylethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 56739906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).