N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide

C7H12N2O4S — CID 122695917

IUPACN-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)NCC(C)O
InChIInChI=1S/C7H12N2O4S/c1-5(10)3-9-14(11,12)7-4-8-13-6(7)2/h4-5,9-10H,3H2,1-2H3
InChIKeyKEGJNUWRIIKXBG-UHFFFAOYSA-N
MW220.25 g/mol
LogP-0.36
Rot. Bonds4

About N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide

N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide (PubChem CID 122695917) has the molecular formula C7H12N2O4S and a molecular weight of 220.25 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide
PubChem CID122695917
Molecular FormulaC7H12N2O4S
Molecular Weight220.25 g/mol
Exact Mass220.05
IUPAC NameN-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide
SMILESCc1oncc1S(=O)(=O)NCC(C)O
InChIInChI=1S/C7H12N2O4S/c1-5(10)3-9-14(11,12)7-4-8-13-6(7)2/h4-5,9-10H,3H2,1-2H3
InChIKeyKEGJNUWRIIKXBG-UHFFFAOYSA-N
XLogP-0.36
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide (CID 122695917) is N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide is Cc1oncc1S(=O)(=O)NCC(C)O.
What is the InChIKey of N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide?
The InChIKey is KEGJNUWRIIKXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O4S/c1-5(10)3-9-14(11,12)7-4-8-13-6(7)2/h4-5,9-10H,3H2,1-2H3.
What are the key properties of N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide?
N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide has a molecular weight of 220.25 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-5-methyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 122695917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).