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

C12H18N4O3S — CID 19916021

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C12H18N4O3S/c1-5-16-8-11(6-13-16)7-15(4)20(17,18)12-9(2)14-19-10(12)3/h6,8H,5,7H2,1-4H3
InChIKeyUHRVFROFSLBBNP-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.33
Rot. Bonds5

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

N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 19916021) has the molecular formula C12H18N4O3S and a molecular weight of 298.37 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
PubChem CID19916021
Molecular FormulaC12H18N4O3S
Molecular Weight298.37 g/mol
Exact Mass298.11
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
SMILESCCn1cc(CN(C)S(=O)(=O)c2c(C)noc2C)cn1
InChIInChI=1S/C12H18N4O3S/c1-5-16-8-11(6-13-16)7-15(4)20(17,18)12-9(2)14-19-10(12)3/h6,8H,5,7H2,1-4H3
InChIKeyUHRVFROFSLBBNP-UHFFFAOYSA-N
XLogP1.33
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide (CID 19916021) is N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is CCn1cc(CN(C)S(=O)(=O)c2c(C)noc2C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is UHRVFROFSLBBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3S/c1-5-16-8-11(6-13-16)7-15(4)20(17,18)12-9(2)14-19-10(12)3/h6,8H,5,7H2,1-4H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide?
N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 19916021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).