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

C13H20N4O3S — CID 19916035

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2c(C)noc2C)c(C)n1
InChIInChI=1S/C13H20N4O3S/c1-6-17-8-12(9(2)14-17)7-16(5)21(18,19)13-10(3)15-20-11(13)4/h8H,6-7H2,1-5H3
InChIKeyDGRCVEYBIHVSSE-UHFFFAOYSA-N
MW312.40 g/mol
LogP1.64
Rot. Bonds5

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

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 19916035) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID19916035
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2c(C)noc2C)c(C)n1
InChIInChI=1S/C13H20N4O3S/c1-6-17-8-12(9(2)14-17)7-16(5)21(18,19)13-10(3)15-20-11(13)4/h8H,6-7H2,1-5H3
InChIKeyDGRCVEYBIHVSSE-UHFFFAOYSA-N
XLogP1.64
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 19916035) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is CCn1cc(CN(C)S(=O)(=O)c2c(C)noc2C)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is DGRCVEYBIHVSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-6-17-8-12(9(2)14-17)7-16(5)21(18,19)13-10(3)15-20-11(13)4/h8H,6-7H2,1-5H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 312.40 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 19916035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).