5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C11H14N2O4S — CID 68525920

IUPAC5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCS(=O)(=O)c1ccc(OCC2CN=C(N)O2)cc1
InChIInChI=1S/C11H14N2O4S/c1-18(14,15)10-4-2-8(3-5-10)16-7-9-6-13-11(12)17-9/h2-5,9H,6-7H2,1H3,(H2,12,13)
InChIKeyRHVQPDXAWWSETQ-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.18
Rot. Bonds4

About 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 68525920) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID68525920
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCS(=O)(=O)c1ccc(OCC2CN=C(N)O2)cc1
InChIInChI=1S/C11H14N2O4S/c1-18(14,15)10-4-2-8(3-5-10)16-7-9-6-13-11(12)17-9/h2-5,9H,6-7H2,1H3,(H2,12,13)
InChIKeyRHVQPDXAWWSETQ-UHFFFAOYSA-N
XLogP0.18
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 68525920) is 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CS(=O)(=O)c1ccc(OCC2CN=C(N)O2)cc1.
What is the InChIKey of 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is RHVQPDXAWWSETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-18(14,15)10-4-2-8(3-5-10)16-7-9-6-13-11(12)17-9/h2-5,9H,6-7H2,1H3,(H2,12,13).
What are the key properties of 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 270.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 68525920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).