3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

C15H17N5O3S — CID 71807864

IUPAC3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C15H17N5O3S/c1-11-15(12(2)23-19-11)24(21,22)17-8-10-20-9-5-14(18-20)13-3-6-16-7-4-13/h3-7,9,17H,8,10H2,1-2H3
InChIKeyMIUGTWROZFPIPQ-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.53
Rot. Bonds6

About 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (PubChem CID 71807864) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
PubChem CID71807864
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1
InChIInChI=1S/C15H17N5O3S/c1-11-15(12(2)23-19-11)24(21,22)17-8-10-20-9-5-14(18-20)13-3-6-16-7-4-13/h3-7,9,17H,8,10H2,1-2H3
InChIKeyMIUGTWROZFPIPQ-UHFFFAOYSA-N
XLogP1.53
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide (CID 71807864) is 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCCn1ccc(-c2ccncc2)n1.
What is the InChIKey of 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is MIUGTWROZFPIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-11-15(12(2)23-19-11)24(21,22)17-8-10-20-9-5-14(18-20)13-3-6-16-7-4-13/h3-7,9,17H,8,10H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 71807864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).