N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide

C12H18N4O4S — CID 129369481

IUPACN,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCCCc1nc(CN(C)S(=O)(=O)c2c(C)noc2C)no1
InChIInChI=1S/C12H18N4O4S/c1-5-6-11-13-10(15-20-11)7-16(4)21(17,18)12-8(2)14-19-9(12)3/h5-7H2,1-4H3
InChIKeyUSAXEBLHABOOLX-UHFFFAOYSA-N
MW314.37 g/mol
LogP1.45
Rot. Bonds6

About N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide

N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 129369481) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
PubChem CID129369481
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC NameN,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide
SMILESCCCc1nc(CN(C)S(=O)(=O)c2c(C)noc2C)no1
InChIInChI=1S/C12H18N4O4S/c1-5-6-11-13-10(15-20-11)7-16(4)21(17,18)12-8(2)14-19-9(12)3/h5-7H2,1-4H3
InChIKeyUSAXEBLHABOOLX-UHFFFAOYSA-N
XLogP1.45
TPSA102.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide (CID 129369481) is N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide is CCCc1nc(CN(C)S(=O)(=O)c2c(C)noc2C)no1.
What is the InChIKey of N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is USAXEBLHABOOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-5-6-11-13-10(15-20-11)7-16(4)21(17,18)12-8(2)14-19-9(12)3/h5-7H2,1-4H3.
What are the key properties of N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide?
N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 314.37 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 129369481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).