N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide

C10H18N2O4S — CID 71979583

IUPACN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCc1cc(CNS(=O)(=O)CCOC(C)C)on1
InChIInChI=1S/C10H18N2O4S/c1-8(2)15-4-5-17(13,14)11-7-10-6-9(3)12-16-10/h6,8,11H,4-5,7H2,1-3H3
InChIKeyVZHFWKHKIZWCKF-UHFFFAOYSA-N
MW262.33 g/mol
LogP0.83
Rot. Bonds7

About N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide

N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 71979583) has the molecular formula C10H18N2O4S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide
PubChem CID71979583
Molecular FormulaC10H18N2O4S
Molecular Weight262.33 g/mol
Exact Mass262.10
IUPAC NameN-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide
SMILESCc1cc(CNS(=O)(=O)CCOC(C)C)on1
InChIInChI=1S/C10H18N2O4S/c1-8(2)15-4-5-17(13,14)11-7-10-6-9(3)12-16-10/h6,8,11H,4-5,7H2,1-3H3
InChIKeyVZHFWKHKIZWCKF-UHFFFAOYSA-N
XLogP0.83
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(dimethylsulfamoylamino)methyl]-3-methyl-1,2-oxazole
CID 48944715
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]propane-1-sulfonamide
CID 90537785
N-methoxy-1-(3-methyl-1,2-oxazol-5-yl)methanamine
CID 82594380
N-[(3-bromophenyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 71979894
2,6-dimethyl-4-(methylamino)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 107328831
3-amino-2,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 79888991
(2R)-2-[(3-methyl-1,2-oxazol-5-yl)methylamino]propanoic acid
CID 83195269
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
3,5-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-1-sulfonamide
CID 48944709
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
5,6-dichloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridine-3-sulfonamide
CID 64608033
4-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxypyrimidin-2-amine
CID 112637367

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide (CID 71979583) is N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide is Cc1cc(CNS(=O)(=O)CCOC(C)C)on1.
What is the InChIKey of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is VZHFWKHKIZWCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4S/c1-8(2)15-4-5-17(13,14)11-7-10-6-9(3)12-16-10/h6,8,11H,4-5,7H2,1-3H3.
What are the key properties of N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide?
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 71979583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).