N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

C11H16N2O4S — CID 47119967

IUPACN-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O4S/c1-7-10(8(2)17-12-7)11(14)13(3)9-4-5-18(15,16)6-9/h9H,4-6H2,1-3H3
InChIKeyRKBPKWSTNTZJES-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.55
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (PubChem CID 47119967) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
PubChem CID47119967
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)N(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H16N2O4S/c1-7-10(8(2)17-12-7)11(14)13(3)9-4-5-18(15,16)6-9/h9H,4-6H2,1-3H3
InChIKeyRKBPKWSTNTZJES-UHFFFAOYSA-N
XLogP0.55
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (CID 47119967) is N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)N(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is RKBPKWSTNTZJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-7-10(8(2)17-12-7)11(14)13(3)9-4-5-18(15,16)6-9/h9H,4-6H2,1-3H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 272.33 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 47119967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).