N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide

C14H12N2O4S — CID 70787525

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H12N2O4S/c17-14(15-11-6-7-21(18,19)9-11)12-8-13(20-16-12)10-4-2-1-3-5-10/h1-8,11H,9H2,(H,15,17)
InChIKeyXYBMWIZGTVTKRT-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.38
Rot. Bonds3

About N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 70787525) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID70787525
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1C=CS(=O)(=O)C1)c1cc(-c2ccccc2)on1
InChIInChI=1S/C14H12N2O4S/c17-14(15-11-6-7-21(18,19)9-11)12-8-13(20-16-12)10-4-2-1-3-5-10/h1-8,11H,9H2,(H,15,17)
InChIKeyXYBMWIZGTVTKRT-UHFFFAOYSA-N
XLogP1.38
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(1-carbamoylazetidin-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide
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CID 103751269
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CID 171470028
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide (CID 70787525) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide is O=C(NC1C=CS(=O)(=O)C1)c1cc(-c2ccccc2)on1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is XYBMWIZGTVTKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-14(15-11-6-7-21(18,19)9-11)12-8-13(20-16-12)10-4-2-1-3-5-10/h1-8,11H,9H2,(H,15,17).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 304.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70787525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).