N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide

C11H16N2O4S — CID 47863962

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1noc(C)c1CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O4S/c1-7-10(8(2)17-13-7)5-12-11(14)9-3-4-18(15,16)6-9/h9H,3-6H2,1-2H3,(H,12,14)
InChIKeySQMPTJLSMWSDAB-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.34
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 47863962) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
PubChem CID47863962
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide
SMILESCc1noc(C)c1CNC(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O4S/c1-7-10(8(2)17-13-7)5-12-11(14)9-3-4-18(15,16)6-9/h9H,3-6H2,1-2H3,(H,12,14)
InChIKeySQMPTJLSMWSDAB-UHFFFAOYSA-N
XLogP0.34
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide (CID 47863962) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide is Cc1noc(C)c1CNC(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is SQMPTJLSMWSDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-10(8(2)17-13-7)5-12-11(14)9-3-4-18(15,16)6-9/h9H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 47863962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).