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

C14H20N2O4S — CID 67177647

IUPAC4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(CC1COC(N)=N1)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-11(8-10-9-19-14(15)16-10)20-12-4-6-13(7-5-12)21(2,17)18/h4-7,10-11H,3,8-9H2,1-2H3,(H2,15,16)
InChIKeySLLMDNVHUSIDMH-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.35
Rot. Bonds6

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

4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67177647) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67177647
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCC(CC1COC(N)=N1)Oc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C14H20N2O4S/c1-3-11(8-10-9-19-14(15)16-10)20-12-4-6-13(7-5-12)21(2,17)18/h4-7,10-11H,3,8-9H2,1-2H3,(H2,15,16)
InChIKeySLLMDNVHUSIDMH-UHFFFAOYSA-N
XLogP1.35
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-Oxazoline, 2-amino-5-((p-methoxyphenyl)thiomethyl)-
CID 3039354
2-[3-[4-[4-(3-Methylbut-2-enoxy)phenyl]sulfonylphenoxy]propyl]guanidine
CID 177643879
2-[2-[2-[4-[4-(3-Methylbut-2-enoxy)phenyl]sulfonylphenoxy]ethoxy]ethyl]guanidine
CID 177644477
2-[4-[4-(4-Prop-2-enoxyphenyl)sulfonylphenoxy]butyl]guanidine
CID 177645174
2-[4-[4-[4-(3-Methylbut-2-enoxy)phenyl]sulfonylphenoxy]butyl]guanidine
CID 177645412
2-[4-[4-(4-Propan-2-yloxyphenyl)sulfonylphenoxy]butyl]guanidine
CID 177645843
(1E)-1-[amino-[3-[4-(trifluoromethylsulfonyl)phenoxy]propoxyamino]methylidene]-2-propan-2-ylguanidine
CID 10342349
1-[Amino-[3-[4-(trifluoromethylsulfonyl)phenoxy]propoxyamino]methylidene]-2-propan-2-ylguanidine
CID 85115724
2-[2-[4-(Trifluoromethylsulfonyl)phenoxy]ethyl]guanidine;hydroiodide
CID 109916075
2-[2-[4-(Trifluoromethylsulfonyl)phenoxy]ethyl]guanidine
CID 109916076
(4S)-4-[(2S)-2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173104
(4S)-4-[2-(3-methylsulfonylphenoxy)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 59173149

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67177647) is 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine is CCC(CC1COC(N)=N1)Oc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is SLLMDNVHUSIDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-3-11(8-10-9-19-14(15)16-10)20-12-4-6-13(7-5-12)21(2,17)18/h4-7,10-11H,3,8-9H2,1-2H3,(H2,15,16).
What are the key properties of 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 312.39 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylsulfonylphenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67177647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).