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

C11H16N4O3S — CID 103914901

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2c(C)n[nH]c2C)oc1C
InChIInChI=1S/C11H16N4O3S/c1-6-9(4)18-10(13-6)5-12-19(16,17)11-7(2)14-15-8(11)3/h12H,5H2,1-4H3,(H,14,15)
InChIKeySYUBVIHJGWUHPT-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.11
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 103914901) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID103914901
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2c(C)n[nH]c2C)oc1C
InChIInChI=1S/C11H16N4O3S/c1-6-9(4)18-10(13-6)5-12-19(16,17)11-7(2)14-15-8(11)3/h12H,5H2,1-4H3,(H,14,15)
InChIKeySYUBVIHJGWUHPT-UHFFFAOYSA-N
XLogP1.11
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 103914901) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1nc(CNS(=O)(=O)c2c(C)n[nH]c2C)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is SYUBVIHJGWUHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-6-9(4)18-10(13-6)5-12-19(16,17)11-7(2)14-15-8(11)3/h12H,5H2,1-4H3,(H,14,15).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 103914901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).