3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine

C16H16N2OS — CID 62501391

IUPAC3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCc1cccc(CCc2noc(N)c2-c2cccs2)c1
InChIInChI=1S/C16H16N2OS/c1-11-4-2-5-12(10-11)7-8-13-15(16(17)19-18-13)14-6-3-9-20-14/h2-6,9-10H,7-8,17H2,1H3
InChIKeyYILBXDOSYWRRQT-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.08
Rot. Bonds4

About 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine

3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62501391) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62501391
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCc1cccc(CCc2noc(N)c2-c2cccs2)c1
InChIInChI=1S/C16H16N2OS/c1-11-4-2-5-12(10-11)7-8-13-15(16(17)19-18-13)14-6-3-9-20-14/h2-6,9-10H,7-8,17H2,1H3
InChIKeyYILBXDOSYWRRQT-UHFFFAOYSA-N
XLogP4.08
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62501391) is 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine is Cc1cccc(CCc2noc(N)c2-c2cccs2)c1.
What is the InChIKey of 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is YILBXDOSYWRRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-4-2-5-12(10-11)7-8-13-15(16(17)19-18-13)14-6-3-9-20-14/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 284.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62501391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).