5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine

C11H12N2OS — CID 82472660

IUPAC5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
SMILESCCSc1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C11H12N2OS/c1-2-15-9-5-3-8(4-6-9)10-7-11(12)13-14-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyBJUDLKYSJSONEB-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.04
Rot. Bonds3

About 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine

5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine (PubChem CID 82472660) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
PubChem CID82472660
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine
SMILESCCSc1ccc(-c2cc(N)no2)cc1
InChIInChI=1S/C11H12N2OS/c1-2-15-9-5-3-8(4-6-9)10-7-11(12)13-14-10/h3-7H,2H2,1H3,(H2,12,13)
InChIKeyBJUDLKYSJSONEB-UHFFFAOYSA-N
XLogP3.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine (CID 82472660) is 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine is CCSc1ccc(-c2cc(N)no2)cc1.
What is the InChIKey of 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine?
The InChIKey is BJUDLKYSJSONEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c1-2-15-9-5-3-8(4-6-9)10-7-11(12)13-14-10/h3-7H,2H2,1H3,(H2,12,13).
What are the key properties of 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine?
5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine has a molecular weight of 220.30 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfanylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 82472660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).