2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide

C13H18N4O3S — CID 167927746

IUPAC2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide
SMILESCCc1cnc(NS(=O)(=O)c2ccnn2CC2CCC2)o1
InChIInChI=1S/C13H18N4O3S/c1-2-11-8-14-13(20-11)16-21(18,19)12-6-7-15-17(12)9-10-4-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,14,16)
InChIKeyCPBVKUFCIIQRGT-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.03
Rot. Bonds6

About 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide

2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide (PubChem CID 167927746) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide
PubChem CID167927746
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide
SMILESCCc1cnc(NS(=O)(=O)c2ccnn2CC2CCC2)o1
InChIInChI=1S/C13H18N4O3S/c1-2-11-8-14-13(20-11)16-21(18,19)12-6-7-15-17(12)9-10-4-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,14,16)
InChIKeyCPBVKUFCIIQRGT-UHFFFAOYSA-N
XLogP2.03
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide?
The IUPAC name of 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide (CID 167927746) is 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide.
What is the SMILES notation for 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide?
The canonical SMILES for 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide is CCc1cnc(NS(=O)(=O)c2ccnn2CC2CCC2)o1.
What is the InChIKey of 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide?
The InChIKey is CPBVKUFCIIQRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-2-11-8-14-13(20-11)16-21(18,19)12-6-7-15-17(12)9-10-4-3-5-10/h6-8,10H,2-5,9H2,1H3,(H,14,16).
What are the key properties of 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide?
2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-N-(5-ethyl-1,3-oxazol-2-yl)pyrazole-3-sulfonamide is sourced from PubChem (CID 167927746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).