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

C11H14N2O4S — CID 70736281

IUPACN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC2C=CS(=O)(=O)C2)no1
InChIInChI=1S/C11H14N2O4S/c1-2-3-9-6-10(13-17-9)11(14)12-8-4-5-18(15,16)7-8/h4-6,8H,2-3,7H2,1H3,(H,12,14)
InChIKeyQNJQZLBGHZQPSS-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.67
Rot. Bonds4

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

N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 70736281) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID70736281
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NC2C=CS(=O)(=O)C2)no1
InChIInChI=1S/C11H14N2O4S/c1-2-3-9-6-10(13-17-9)11(14)12-8-4-5-18(15,16)7-8/h4-6,8H,2-3,7H2,1H3,(H,12,14)
InChIKeyQNJQZLBGHZQPSS-UHFFFAOYSA-N
XLogP0.67
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide (CID 70736281) is N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NC2C=CS(=O)(=O)C2)no1.
What is the InChIKey of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is QNJQZLBGHZQPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-2-3-9-6-10(13-17-9)11(14)12-8-4-5-18(15,16)7-8/h4-6,8H,2-3,7H2,1H3,(H,12,14).
What are the key properties of N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 270.31 g/mol, XLogP of 0.67, 4 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-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70736281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).