N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide

C15H13N3O4S — CID 126852085

IUPACN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC(c1ccco1)c1cccs1)C(=O)Nc1ccon1
InChIInChI=1S/C15H13N3O4S/c19-14(15(20)17-13-5-7-22-18-13)16-9-10(11-3-1-6-21-11)12-4-2-8-23-12/h1-8,10H,9H2,(H,16,19)(H,17,18,20)
InChIKeyRAIUPZIXECVNRI-UHFFFAOYSA-N
MW331.35 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide

N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide (PubChem CID 126852085) has the molecular formula C15H13N3O4S and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
PubChem CID126852085
Molecular FormulaC15H13N3O4S
Molecular Weight331.35 g/mol
Exact Mass331.06
IUPAC NameN-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide
SMILESO=C(NCC(c1ccco1)c1cccs1)C(=O)Nc1ccon1
InChIInChI=1S/C15H13N3O4S/c19-14(15(20)17-13-5-7-22-18-13)16-9-10(11-3-1-6-21-11)12-4-2-8-23-12/h1-8,10H,9H2,(H,16,19)(H,17,18,20)
InChIKeyRAIUPZIXECVNRI-UHFFFAOYSA-N
XLogP2.22
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876506
N-[(2R)-2-(furan-2-yl)-2-methoxyethyl]-N'-(1,2-oxazol-3-yl)oxamide
CID 99876507
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 126850409
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 126854746
N'-(1,2-oxazol-3-yl)-N-[(5-thiophen-2-ylfuran-2-yl)methyl]oxamide
CID 119101833
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-2-methylsulfanylbenzamide
CID 126850403
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]oxolane-3-carboxamide
CID 126852531
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-4-phenyloxane-4-carboxamide
CID 126850412
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 126854749
4-(dimethylsulfamoyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]benzamide
CID 126850416
N-[2,2-bis(furan-2-yl)ethyl]-N'-(3-fluorophenyl)oxamide
CID 131701808
N-(1,2-oxazol-3-yl)-N'-[(1R)-1-phenylethyl]oxamide
CID 41452995

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide (CID 126852085) is N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide is O=C(NCC(c1ccco1)c1cccs1)C(=O)Nc1ccon1.
What is the InChIKey of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
The InChIKey is RAIUPZIXECVNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4S/c19-14(15(20)17-13-5-7-22-18-13)16-9-10(11-3-1-6-21-11)12-4-2-8-23-12/h1-8,10H,9H2,(H,16,19)(H,17,18,20).
What are the key properties of N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide?
N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide has a molecular weight of 331.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-N'-(1,2-oxazol-3-yl)oxamide is sourced from PubChem (CID 126852085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).