N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide

C12H16N4O3S — CID 65481175

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)Nc2onc(C)c2C)ccn1
InChIInChI=1S/C12H16N4O3S/c1-4-13-11-7-10(5-6-14-11)20(17,18)16-12-8(2)9(3)15-19-12/h5-7,16H,4H2,1-3H3,(H,13,14)
InChIKeyWGMWFECNYJHKMD-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.92
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide (PubChem CID 65481175) has the molecular formula C12H16N4O3S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide
PubChem CID65481175
Molecular FormulaC12H16N4O3S
Molecular Weight296.35 g/mol
Exact Mass296.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide
SMILESCCNc1cc(S(=O)(=O)Nc2onc(C)c2C)ccn1
InChIInChI=1S/C12H16N4O3S/c1-4-13-11-7-10(5-6-14-11)20(17,18)16-12-8(2)9(3)15-19-12/h5-7,16H,4H2,1-3H3,(H,13,14)
InChIKeyWGMWFECNYJHKMD-UHFFFAOYSA-N
XLogP1.92
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide (CID 65481175) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide is CCNc1cc(S(=O)(=O)Nc2onc(C)c2C)ccn1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide?
The InChIKey is WGMWFECNYJHKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3S/c1-4-13-11-7-10(5-6-14-11)20(17,18)16-12-8(2)9(3)15-19-12/h5-7,16H,4H2,1-3H3,(H,13,14).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 65481175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).