4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

C20H19N5O3S — CID 121022382

IUPAC4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cncc(-c4cnn(C)c4)c3)cc2)co1
InChIInChI=1S/C20H19N5O3S/c1-14-24-20(13-28-14)16-3-5-19(6-4-16)29(26,27)23-9-15-7-17(10-21-8-15)18-11-22-25(2)12-18/h3-8,10-13,23H,9H2,1-2H3
InChIKeyLLVUEMOIRNOVKV-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.92
Rot. Bonds6

About 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide

4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (PubChem CID 121022382) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
PubChem CID121022382
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)NCc3cncc(-c4cnn(C)c4)c3)cc2)co1
InChIInChI=1S/C20H19N5O3S/c1-14-24-20(13-28-14)16-3-5-19(6-4-16)29(26,27)23-9-15-7-17(10-21-8-15)18-11-22-25(2)12-18/h3-8,10-13,23H,9H2,1-2H3
InChIKeyLLVUEMOIRNOVKV-UHFFFAOYSA-N
XLogP2.92
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide (CID 121022382) is 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)NCc3cncc(-c4cnn(C)c4)c3)cc2)co1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
The InChIKey is LLVUEMOIRNOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-14-24-20(13-28-14)16-3-5-19(6-4-16)29(26,27)23-9-15-7-17(10-21-8-15)18-11-22-25(2)12-18/h3-8,10-13,23H,9H2,1-2H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide?
4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-4-yl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide is sourced from PubChem (CID 121022382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).