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

C14H17N5O3S — CID 71993016

IUPACN-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1noc2ncc(S(=O)(=O)Nc3cc(C(C)(C)C)[nH]n3)cc12
InChIInChI=1S/C14H17N5O3S/c1-8-10-5-9(7-15-13(10)22-18-8)23(20,21)19-12-6-11(16-17-12)14(2,3)4/h5-7H,1-4H3,(H2,16,17,19)
InChIKeyFCKPFRSKTZMEEC-UHFFFAOYSA-N
MW335.39 g/mol
LogP2.35
Rot. Bonds3

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

N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 71993016) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID71993016
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC NameN-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCc1noc2ncc(S(=O)(=O)Nc3cc(C(C)(C)C)[nH]n3)cc12
InChIInChI=1S/C14H17N5O3S/c1-8-10-5-9(7-15-13(10)22-18-8)23(20,21)19-12-6-11(16-17-12)14(2,3)4/h5-7H,1-4H3,(H2,16,17,19)
InChIKeyFCKPFRSKTZMEEC-UHFFFAOYSA-N
XLogP2.35
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 71993016) is N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is Cc1noc2ncc(S(=O)(=O)Nc3cc(C(C)(C)C)[nH]n3)cc12.
What is the InChIKey of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is FCKPFRSKTZMEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-8-10-5-9(7-15-13(10)22-18-8)23(20,21)19-12-6-11(16-17-12)14(2,3)4/h5-7H,1-4H3,(H2,16,17,19).
What are the key properties of N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 335.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 71993016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).