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

C13H18N4O3S — CID 65479983

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)Nc2onc(C)c2C)ccn1
InChIInChI=1S/C13H18N4O3S/c1-4-6-14-12-8-11(5-7-15-12)21(18,19)17-13-9(2)10(3)16-20-13/h5,7-8,17H,4,6H2,1-3H3,(H,14,15)
InChIKeyKLVNJOPBIFHOQT-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.31
Rot. Bonds6

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide (PubChem CID 65479983) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide
PubChem CID65479983
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide
SMILESCCCNc1cc(S(=O)(=O)Nc2onc(C)c2C)ccn1
InChIInChI=1S/C13H18N4O3S/c1-4-6-14-12-8-11(5-7-15-12)21(18,19)17-13-9(2)10(3)16-20-13/h5,7-8,17H,4,6H2,1-3H3,(H,14,15)
InChIKeyKLVNJOPBIFHOQT-UHFFFAOYSA-N
XLogP2.31
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 65481175
2-(propylamino)-N-pyrimidin-5-ylpyridine-4-sulfonamide
CID 107589827
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407859
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzenesulfonamide
CID 65487179
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106376666
2-(propylamino)-N-(pyridin-4-ylmethyl)pyridine-4-sulfonamide
CID 62148405
N-(dicyclopropylmethyl)-2-(propylamino)pyridine-4-sulfonamide
CID 62152445
5-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]-2-methylbenzoic acid
CID 65486231
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 5344
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-hydroxybenzenesulfonamide
CID 10015852
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-fluorobenzenesulfonamide
CID 82844498

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide (CID 65479983) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide is CCCNc1cc(S(=O)(=O)Nc2onc(C)c2C)ccn1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide?
The InChIKey is KLVNJOPBIFHOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-4-6-14-12-8-11(5-7-15-12)21(18,19)17-13-9(2)10(3)16-20-13/h5,7-8,17H,4,6H2,1-3H3,(H,14,15).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(propylamino)pyridine-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 2.31, 6 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-(propylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 65479983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).