3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide

C15H17N5O3S — CID 122245923

IUPAC3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C15H17N5O3S/c1-10-15(11(2)23-19-10)24(21,22)18-7-12-4-5-16-14(6-12)13-8-17-20(3)9-13/h4-6,8-9,18H,7H2,1-3H3
InChIKeyYZBMPBLSPPUWCI-UHFFFAOYSA-N
MW347.40 g/mol
LogP1.57
Rot. Bonds5

About 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide

3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide (PubChem CID 122245923) has the molecular formula C15H17N5O3S and a molecular weight of 347.40 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide
PubChem CID122245923
Molecular FormulaC15H17N5O3S
Molecular Weight347.40 g/mol
Exact Mass347.11
IUPAC Name3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCc1ccnc(-c2cnn(C)c2)c1
InChIInChI=1S/C15H17N5O3S/c1-10-15(11(2)23-19-10)24(21,22)18-7-12-4-5-16-14(6-12)13-8-17-20(3)9-13/h4-6,8-9,18H,7H2,1-3H3
InChIKeyYZBMPBLSPPUWCI-UHFFFAOYSA-N
XLogP1.57
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-Dimethyl-isoxazol-5-yl)-2-pyridin-2-yl-benzenesulfonamide
CID 9949368
4''-Pyrazol-1-yl-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 22103787
N-[[4-(5-cyano-3-pyridinyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 72544375
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzenesulfonamide
CID 155528571
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methylbenzenesulfonamide
CID 57944955
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-fluorobenzenesulfonamide
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3,5-Dimethyl-4-(5-pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,2-oxazole
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5-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 2738186
3,5-Dimethyl-4-{[4-(4-pyridyl)piperidino]sulfonyl}isoxazole
CID 22585601
1-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]azetidin-3-YL}-N-[(pyridin-4-YL)methyl]-1H-1,2,3-triazole-4-carboxamide
CID 91911471
CID 134794977
CID 134794977

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide (CID 122245923) is 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCc1ccnc(-c2cnn(C)c2)c1.
What is the InChIKey of 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide?
The InChIKey is YZBMPBLSPPUWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3S/c1-10-15(11(2)23-19-10)24(21,22)18-7-12-4-5-16-14(6-12)13-8-17-20(3)9-13/h4-6,8-9,18H,7H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide?
3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 1.57, 5 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-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 122245923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).