N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C15H19N3O3S — CID 3242786

IUPACN-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H19N3O3S/c19-15(16-4-2-5-18-6-8-20-9-7-18)12-11-13(21-17-12)14-3-1-10-22-14/h1,3,10-11H,2,4-9H2,(H,16,19)
InChIKeyKXRDNIILAKUCLL-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.86
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3242786) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3242786
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1cc(-c2cccs2)on1
InChIInChI=1S/C15H19N3O3S/c19-15(16-4-2-5-18-6-8-20-9-7-18)12-11-13(21-17-12)14-3-1-10-22-14/h1,3,10-11H,2,4-9H2,(H,16,19)
InChIKeyKXRDNIILAKUCLL-UHFFFAOYSA-N
XLogP1.86
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-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-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3242786) is N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(NCCCN1CCOCC1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is KXRDNIILAKUCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-15(16-4-2-5-18-6-8-20-9-7-18)12-11-13(21-17-12)14-3-1-10-22-14/h1,3,10-11H,2,4-9H2,(H,16,19).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3242786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).