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

C16H16N2OS — CID 66199378

IUPAC5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCc1ccccc1CCc1onc(N)c1-c1cccs1
InChIInChI=1S/C16H16N2OS/c1-11-5-2-3-6-12(11)8-9-13-15(16(17)18-19-13)14-7-4-10-20-14/h2-7,10H,8-9H2,1H3,(H2,17,18)
InChIKeyGMEVALGVJAWEJD-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.08
Rot. Bonds4

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

5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine (PubChem CID 66199378) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine
PubChem CID66199378
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine
SMILESCc1ccccc1CCc1onc(N)c1-c1cccs1
InChIInChI=1S/C16H16N2OS/c1-11-5-2-3-6-12(11)8-9-13-15(16(17)18-19-13)14-7-4-10-20-14/h2-7,10H,8-9H2,1H3,(H2,17,18)
InChIKeyGMEVALGVJAWEJD-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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Related Compounds

4-thiophen-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66199989
5-(2-bromo-3-methylphenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 107984276
5-butyl-3-phenyl-4-thiophen-2-yl-1,2-oxazole
CID 135031963
2-(2,6-dimethylphenyl)thiophene
CID 58838883
5-(2-methyl-6-nitrophenyl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198589
5-heptan-4-yl-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 82987307
3-[2-(2-methylphenyl)ethyl]-4-phenyl-1,2-oxazol-5-amine
CID 62365707
5-(2-methylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66198188
4-(2-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66205392
4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 80522730
5-(2,5-dimethylfuran-3-yl)-4-thiophen-2-yl-1,2-oxazol-3-amine
CID 66199576
4-[(2-methylphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazol-5-one
CID 6624086

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine (CID 66199378) is 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine is Cc1ccccc1CCc1onc(N)c1-c1cccs1.
What is the InChIKey of 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine?
The InChIKey is GMEVALGVJAWEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-11-5-2-3-6-12(11)8-9-13-15(16(17)18-19-13)14-7-4-10-20-14/h2-7,10H,8-9H2,1H3,(H2,17,18).
What are the key properties of 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine?
5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-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 5-[2-(2-methylphenyl)ethyl]-4-thiophen-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 66199378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).