N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

C15H19N5O3S — CID 71849642

IUPACN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1noc2ncc(S(=O)(=O)Nc3cc(CC(C)(C)C)[nH]n3)cc12
InChIInChI=1S/C15H19N5O3S/c1-9-12-6-11(8-16-14(12)23-19-9)24(21,22)20-13-5-10(17-18-13)7-15(2,3)4/h5-6,8H,7H2,1-4H3,(H2,17,18,20)
InChIKeyKEHYZIUJFGLLHN-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.64
Rot. Bonds4

About N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide

N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 71849642) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID71849642
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1noc2ncc(S(=O)(=O)Nc3cc(CC(C)(C)C)[nH]n3)cc12
InChIInChI=1S/C15H19N5O3S/c1-9-12-6-11(8-16-14(12)23-19-9)24(21,22)20-13-5-10(17-18-13)7-15(2,3)4/h5-6,8H,7H2,1-4H3,(H2,17,18,20)
InChIKeyKEHYZIUJFGLLHN-UHFFFAOYSA-N
XLogP2.64
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 71849642) is N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is Cc1noc2ncc(S(=O)(=O)Nc3cc(CC(C)(C)C)[nH]n3)cc12.
What is the InChIKey of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is KEHYZIUJFGLLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-9-12-6-11(8-16-14(12)23-19-9)24(21,22)20-13-5-10(17-18-13)7-15(2,3)4/h5-6,8H,7H2,1-4H3,(H2,17,18,20).
What are the key properties of N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 349.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,2-dimethylpropyl)-1H-pyrazol-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 71849642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).