N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

C15H16N4O2S — CID 16879463

IUPACN-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1cc(-c2cccs2)on1)NCCCn1ccnc1
InChIInChI=1S/C15H16N4O2S/c20-15(17-4-2-6-19-7-5-16-11-19)10-12-9-13(21-18-12)14-3-1-8-22-14/h1,3,5,7-9,11H,2,4,6,10H2,(H,17,20)
InChIKeyKIJVYRQYRXSEGP-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.35
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide

N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (PubChem CID 16879463) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
PubChem CID16879463
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1cc(-c2cccs2)on1)NCCCn1ccnc1
InChIInChI=1S/C15H16N4O2S/c20-15(17-4-2-6-19-7-5-16-11-19)10-12-9-13(21-18-12)14-3-1-8-22-14/h1,3,5,7-9,11H,2,4,6,10H2,(H,17,20)
InChIKeyKIJVYRQYRXSEGP-UHFFFAOYSA-N
XLogP2.35
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide (CID 16879463) is N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is O=C(Cc1cc(-c2cccs2)on1)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KIJVYRQYRXSEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c20-15(17-4-2-6-19-7-5-16-11-19)10-12-9-13(21-18-12)14-3-1-8-22-14/h1,3,5,7-9,11H,2,4,6,10H2,(H,17,20).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide?
N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide has a molecular weight of 316.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 16879463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).