3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide

C18H19FN4O3 — CID 46971498

IUPAC3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NCCOc3ccc(F)cc3)on2)c(C)n1
InChIInChI=1S/C18H19FN4O3/c1-3-23-11-15(12(2)21-23)16-10-17(26-22-16)18(24)20-8-9-25-14-6-4-13(19)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24)
InChIKeyWNUCKBBWNCIYEB-UHFFFAOYSA-N
MW358.37 g/mol
LogP2.81
Rot. Bonds7

About 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide

3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide (PubChem CID 46971498) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide
PubChem CID46971498
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide
SMILESCCn1cc(-c2cc(C(=O)NCCOc3ccc(F)cc3)on2)c(C)n1
InChIInChI=1S/C18H19FN4O3/c1-3-23-11-15(12(2)21-23)16-10-17(26-22-16)18(24)20-8-9-25-14-6-4-13(19)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24)
InChIKeyWNUCKBBWNCIYEB-UHFFFAOYSA-N
XLogP2.81
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-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 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide (CID 46971498) is 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide is CCn1cc(-c2cc(C(=O)NCCOc3ccc(F)cc3)on2)c(C)n1.
What is the InChIKey of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is WNUCKBBWNCIYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c1-3-23-11-15(12(2)21-23)16-10-17(26-22-16)18(24)20-8-9-25-14-6-4-13(19)5-7-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,20,24).
What are the key properties of 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide?
3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 358.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-3-methylpyrazol-4-yl)-N-[2-(4-fluorophenoxy)ethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46971498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).