4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine

C7H12N2O3S — CID 117216202

IUPAC4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine
SMILESCC(C)S(=O)(=O)Cc1cnoc1N
InChIInChI=1S/C7H12N2O3S/c1-5(2)13(10,11)4-6-3-9-12-7(6)8/h3,5H,4,8H2,1-2H3
InChIKeyYHRIKHIZJZUSOC-UHFFFAOYSA-N
MW204.25 g/mol
LogP0.58
Rot. Bonds3

About 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine

4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine (PubChem CID 117216202) has the molecular formula C7H12N2O3S and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine
PubChem CID117216202
Molecular FormulaC7H12N2O3S
Molecular Weight204.25 g/mol
Exact Mass204.06
IUPAC Name4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine
SMILESCC(C)S(=O)(=O)Cc1cnoc1N
InChIInChI=1S/C7H12N2O3S/c1-5(2)13(10,11)4-6-3-9-12-7(6)8/h3,5H,4,8H2,1-2H3
InChIKeyYHRIKHIZJZUSOC-UHFFFAOYSA-N
XLogP0.58
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(propan-2-yloxymethyl)-1,2-oxazol-5-amine
CID 105430512
5-fluoro-2-(propan-2-ylsulfonylmethyl)aniline
CID 64769392
4-(propan-2-ylsulfonylmethyl)-1,2-thiazole-5-carboxylic acid
CID 117216456
2-bromo-5-(propan-2-ylsulfonylmethyl)-1,3-thiazole
CID 117192612
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117383874
1-methyl-3-(propan-2-ylsulfonylmethyl)indol-6-amine
CID 117178398
4-(propan-2-ylsulfonylmethyl)-3-(trifluoromethyl)aniline
CID 81117982
4-ethyl-5-propan-2-yl-1,2-oxazole
CID 118928258
1,1-dioxo-5-(propan-2-ylsulfonylmethyl)-1,2-thiazol-3-amine
CID 117216950
3-(propan-2-ylsulfonylmethyl)-1,2-oxazole
CID 20761928
3-(propan-2-ylsulfonylmethyl)furan-2-carboxylic acid
CID 60872303
3-(propan-2-ylsulfonylmethyl)-1-benzothiophen-6-amine
CID 117178065

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine (CID 117216202) is 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine is CC(C)S(=O)(=O)Cc1cnoc1N.
What is the InChIKey of 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine?
The InChIKey is YHRIKHIZJZUSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3S/c1-5(2)13(10,11)4-6-3-9-12-7(6)8/h3,5H,4,8H2,1-2H3.
What are the key properties of 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine?
4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine has a molecular weight of 204.25 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylsulfonylmethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117216202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).