N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide

C10H9N3O3S — CID 18588599

IUPACN'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1ccon1
InChIInChI=1S/C10H9N3O3S/c14-9(11-6-7-2-1-5-17-7)10(15)12-8-3-4-16-13-8/h1-5H,6H2,(H,11,14)(H,12,13,15)
InChIKeyHTMKENLHMBHYMY-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.99
Rot. Bonds3

About N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide

N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 18588599) has the molecular formula C10H9N3O3S and a molecular weight of 251.27 g/mol. Its IUPAC name is N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide
PubChem CID18588599
Molecular FormulaC10H9N3O3S
Molecular Weight251.27 g/mol
Exact Mass251.04
IUPAC NameN'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide
SMILESO=C(NCc1cccs1)C(=O)Nc1ccon1
InChIInChI=1S/C10H9N3O3S/c14-9(11-6-7-2-1-5-17-7)10(15)12-8-3-4-16-13-8/h1-5H,6H2,(H,11,14)(H,12,13,15)
InChIKeyHTMKENLHMBHYMY-UHFFFAOYSA-N
XLogP0.99
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide (CID 18588599) is N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide is O=C(NCc1cccs1)C(=O)Nc1ccon1.
What is the InChIKey of N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is HTMKENLHMBHYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3S/c14-9(11-6-7-2-1-5-17-7)10(15)12-8-3-4-16-13-8/h1-5H,6H2,(H,11,14)(H,12,13,15).
What are the key properties of N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide?
N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 251.27 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 18588599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).