4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine

C16H16N2O2S — CID 79802919

IUPAC4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2c(-c3cscc3C)noc2N)ccc1C
InChIInChI=1S/C16H16N2O2S/c1-9-4-5-11(6-13(9)19-3)14-15(18-20-16(14)17)12-8-21-7-10(12)2/h4-8H,17H2,1-3H3
InChIKeyVARMAMBOHJMENR-UHFFFAOYSA-N
MW300.38 g/mol
LogP4.28
Rot. Bonds3

About 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine

4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine (PubChem CID 79802919) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine
PubChem CID79802919
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine
SMILESCOc1cc(-c2c(-c3cscc3C)noc2N)ccc1C
InChIInChI=1S/C16H16N2O2S/c1-9-4-5-11(6-13(9)19-3)14-15(18-20-16(14)17)12-8-21-7-10(12)2/h4-8H,17H2,1-3H3
InChIKeyVARMAMBOHJMENR-UHFFFAOYSA-N
XLogP4.28
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine (CID 79802919) is 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine is COc1cc(-c2c(-c3cscc3C)noc2N)ccc1C.
What is the InChIKey of 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine?
The InChIKey is VARMAMBOHJMENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-9-4-5-11(6-13(9)19-3)14-15(18-20-16(14)17)12-8-21-7-10(12)2/h4-8H,17H2,1-3H3.
What are the key properties of 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine?
4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine has a molecular weight of 300.38 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-4-methylphenyl)-3-(4-methylthiophen-3-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 79802919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).