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

C11H14N2O4S — CID 151610641

IUPACN-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCS(=O)(=O)c1ccc(OCNC2=NCCO2)cc1
InChIInChI=1S/C11H14N2O4S/c1-18(14,15)10-4-2-9(3-5-10)17-8-13-11-12-6-7-16-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyQMKONHHYKUAQNI-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.40
Rot. Bonds4

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

N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 151610641) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID151610641
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC NameN-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCS(=O)(=O)c1ccc(OCNC2=NCCO2)cc1
InChIInChI=1S/C11H14N2O4S/c1-18(14,15)10-4-2-9(3-5-10)17-8-13-11-12-6-7-16-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyQMKONHHYKUAQNI-UHFFFAOYSA-N
XLogP0.40
TPSA76.99 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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Aminoethoxy)-4-methanesulfonylbenzene
CID 43806902
2-Oxazoline, 2-amino-5-((p-methoxyphenyl)thiomethyl)-
CID 3039354
2-(4-methoxyphenyl)sulfonyl-N-methylethanamine
CID 49338
1-Ethyl-3-[2-(4-methylsulfonylphenoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109471538
1-Ethyl-3-[2-(4-methylsulfonylphenoxy)ethyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 109471539
2-Methyl-1-[2-(4-methylsulfonylphenoxy)ethyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472100
2-Methyl-1-[2-(4-methylsulfonylphenoxy)ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472101
1,2-Dimethyl-3-[2-[4-(trifluoromethylsulfonyl)phenoxy]ethyl]guanidine;hydroiodide
CID 109916073
1,2-Dimethyl-3-[2-[4-(trifluoromethylsulfonyl)phenoxy]ethyl]guanidine
CID 109916074
2-[2-[4-(Trifluoromethylsulfonyl)phenoxy]ethyl]guanidine;hydroiodide
CID 109916075
2-[2-[4-(Trifluoromethylsulfonyl)phenoxy]ethyl]guanidine
CID 109916076
1,3-Diethyl-2-[2-[4-(trifluoromethylsulfonyl)phenoxy]ethyl]guanidine;hydroiodide
CID 109916077

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 151610641) is N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CS(=O)(=O)c1ccc(OCNC2=NCCO2)cc1.
What is the InChIKey of N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is QMKONHHYKUAQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-18(14,15)10-4-2-9(3-5-10)17-8-13-11-12-6-7-16-11/h2-5H,6-8H2,1H3,(H,12,13).
What are the key properties of N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 270.31 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylphenoxy)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 151610641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).