N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C14H22N4O3S — CID 22578609

IUPACN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2c(C)noc2C)c1C
InChIInChI=1S/C14H22N4O3S/c1-6-18-11(4)13(9(2)16-18)7-8-15-22(19,20)14-10(3)17-21-12(14)5/h15H,6-8H2,1-5H3
InChIKeyQILMFERWKBVMNJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.65
Rot. Bonds6

About N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 22578609) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID22578609
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1nc(C)c(CCNS(=O)(=O)c2c(C)noc2C)c1C
InChIInChI=1S/C14H22N4O3S/c1-6-18-11(4)13(9(2)16-18)7-8-15-22(19,20)14-10(3)17-21-12(14)5/h15H,6-8H2,1-5H3
InChIKeyQILMFERWKBVMNJ-UHFFFAOYSA-N
XLogP1.65
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 22578609) is N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is CCn1nc(C)c(CCNS(=O)(=O)c2c(C)noc2C)c1C.
What is the InChIKey of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is QILMFERWKBVMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c1-6-18-11(4)13(9(2)16-18)7-8-15-22(19,20)14-10(3)17-21-12(14)5/h15H,6-8H2,1-5H3.
What are the key properties of N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 22578609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).