5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide

C15H12N2O3S — CID 3640468

IUPAC5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C15H12N2O3S/c1-21-14-7-3-2-5-10(14)16-15(18)11-9-13(20-17-11)12-6-4-8-19-12/h2-9H,1H3,(H,16,18)
InChIKeyKJKWSUWHLDIQLB-UHFFFAOYSA-N
MW300.34 g/mol
LogP3.91
Rot. Bonds4

About 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3640468) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3640468
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide
SMILESCSc1ccccc1NC(=O)c1cc(-c2ccco2)on1
InChIInChI=1S/C15H12N2O3S/c1-21-14-7-3-2-5-10(14)16-15(18)11-9-13(20-17-11)12-6-4-8-19-12/h2-9H,1H3,(H,16,18)
InChIKeyKJKWSUWHLDIQLB-UHFFFAOYSA-N
XLogP3.91
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide (CID 3640468) is 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide is CSc1ccccc1NC(=O)c1cc(-c2ccco2)on1.
What is the InChIKey of 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is KJKWSUWHLDIQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-21-14-7-3-2-5-10(14)16-15(18)11-9-13(20-17-11)12-6-4-8-19-12/h2-9H,1H3,(H,16,18).
What are the key properties of 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide?
5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 300.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-(2-methylsulfanylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3640468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).