3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine

C13H16N2O2S — CID 117415535

IUPAC3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCCc1cc(SC)c(-c2cc(N)on2)cc1OC
InChIInChI=1S/C13H16N2O2S/c1-4-8-5-12(18-3)9(6-11(8)16-2)10-7-13(14)17-15-10/h5-7H,4,14H2,1-3H3
InChIKeyQDEMXJYQJOWZQR-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.22
Rot. Bonds4

About 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine

3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine (PubChem CID 117415535) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
PubChem CID117415535
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
SMILESCCc1cc(SC)c(-c2cc(N)on2)cc1OC
InChIInChI=1S/C13H16N2O2S/c1-4-8-5-12(18-3)9(6-11(8)16-2)10-7-13(14)17-15-10/h5-7H,4,14H2,1-3H3
InChIKeyQDEMXJYQJOWZQR-UHFFFAOYSA-N
XLogP3.22
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine (CID 117415535) is 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine is CCc1cc(SC)c(-c2cc(N)on2)cc1OC.
What is the InChIKey of 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
The InChIKey is QDEMXJYQJOWZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-4-8-5-12(18-3)9(6-11(8)16-2)10-7-13(14)17-15-10/h5-7H,4,14H2,1-3H3.
What are the key properties of 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine?
3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine has a molecular weight of 264.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117415535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).