N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C10H16N2O4S — CID 66007194

IUPACN-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C10H16N2O4S/c1-6-10(7(2)16-12-6)17(14,15)11-5-8-3-9(13)4-8/h8-9,11,13H,3-5H2,1-2H3
InChIKeyUSCWIKWODKTJMA-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.34
Rot. Bonds4

About N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 66007194) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID66007194
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC NameN-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NCC1CC(O)C1
InChIInChI=1S/C10H16N2O4S/c1-6-10(7(2)16-12-6)17(14,15)11-5-8-3-9(13)4-8/h8-9,11,13H,3-5H2,1-2H3
InChIKeyUSCWIKWODKTJMA-UHFFFAOYSA-N
XLogP0.34
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-N-[[(3R)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192827
3,5-dimethyl-N-[[(3S)-oxan-3-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 94192826
3,5-dimethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119974164
3,5-dimethyl-N-(2-oxopropyl)-1,2-oxazole-4-sulfonamide
CID 64994317
3,5-dimethyl-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-1,2-oxazole-4-sulfonamide
CID 119104066
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 55172754
N-(2-hydroxy-2-methylpropyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 65113388
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[(1S,3R)-3-hydroxycyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 95984012
3,5-dimethyl-N-[(3-methyl-2-oxo-1,3-oxazolidin-5-yl)methyl]-1,2-oxazole-4-sulfonamide
CID 110710461
N-[[(1S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 146043338
N-(2-aminoethyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119960057

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 66007194) is N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NCC1CC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is USCWIKWODKTJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-6-10(7(2)16-12-6)17(14,15)11-5-8-3-9(13)4-8/h8-9,11,13H,3-5H2,1-2H3.
What are the key properties of N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 260.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)methyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 66007194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).