N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H16N4O4S — CID 106377837

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2c(CO)n[nH]c2C)o1
InChIInChI=1S/C11H16N4O4S/c1-3-8-4-12-10(19-8)5-13-20(17,18)11-7(2)14-15-9(11)6-16/h4,13,16H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyVXFFTMZKSMTRSV-UHFFFAOYSA-N
MW300.34 g/mol
LogP0.24
Rot. Bonds6

About N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106377837) has the molecular formula C11H16N4O4S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106377837
Molecular FormulaC11H16N4O4S
Molecular Weight300.34 g/mol
Exact Mass300.09
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2c(CO)n[nH]c2C)o1
InChIInChI=1S/C11H16N4O4S/c1-3-8-4-12-10(19-8)5-13-20(17,18)11-7(2)14-15-9(11)6-16/h4,13,16H,3,5-6H2,1-2H3,(H,14,15)
InChIKeyVXFFTMZKSMTRSV-UHFFFAOYSA-N
XLogP0.24
TPSA121.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 106377837) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide is CCc1cnc(CNS(=O)(=O)c2c(CO)n[nH]c2C)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VXFFTMZKSMTRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4S/c1-3-8-4-12-10(19-8)5-13-20(17,18)11-7(2)14-15-9(11)6-16/h4,13,16H,3,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 300.34 g/mol, XLogP of 0.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106377837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).