N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide

C12H15N3O4S — CID 106377947

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(CO)cn2)oc1C
InChIInChI=1S/C12H15N3O4S/c1-8-9(2)19-11(15-8)6-14-20(17,18)12-4-3-10(7-16)5-13-12/h3-5,14,16H,6-7H2,1-2H3
InChIKeyIJTBHALMKFNXEO-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.66
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide (PubChem CID 106377947) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
PubChem CID106377947
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide
SMILESCc1nc(CNS(=O)(=O)c2ccc(CO)cn2)oc1C
InChIInChI=1S/C12H15N3O4S/c1-8-9(2)19-11(15-8)6-14-20(17,18)12-4-3-10(7-16)5-13-12/h3-5,14,16H,6-7H2,1-2H3
InChIKeyIJTBHALMKFNXEO-UHFFFAOYSA-N
XLogP0.66
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)benzenesulfonamide
CID 106377965
4-acetyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 86825342
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-hydrazinylpyridine-3-sulfonamide
CID 106373383
N-(2-ethoxyethyl)-5-(hydroxymethyl)pyridine-2-sulfonamide
CID 114132074
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106378308
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106378311
5-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-hydrazinylpyridine-3-sulfonamide
CID 106373397
4-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-2-sulfonamide
CID 106378242
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-hydroxypropane-1-sulfonamide
CID 106377949
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 47359122
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylbenzenesulfonamide
CID 106369295
5-(hydroxymethyl)-N-(6-methylsulfanylhexyl)pyridine-2-sulfonamide
CID 106000682

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide (CID 106377947) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide is Cc1nc(CNS(=O)(=O)c2ccc(CO)cn2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide?
The InChIKey is IJTBHALMKFNXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-9(2)19-11(15-8)6-14-20(17,18)12-4-3-10(7-16)5-13-12/h3-5,14,16H,6-7H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-(hydroxymethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 106377947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).