3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine

C17H20N2OS — CID 141063228

IUPAC3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2CCc2ccccc2)s1
InChIInChI=1S/C17H20N2OS/c1-2-14-8-9-16(21-14)15-12-17(18)20-19(15)11-10-13-6-4-3-5-7-13/h3-9,12,15H,2,10-11,18H2,1H3
InChIKeyFGWKKUUKWNTFEZ-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.64
Rot. Bonds5

About 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine

3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine (PubChem CID 141063228) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine
PubChem CID141063228
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine
SMILESCCc1ccc(C2C=C(N)ON2CCc2ccccc2)s1
InChIInChI=1S/C17H20N2OS/c1-2-14-8-9-16(21-14)15-12-17(18)20-19(15)11-10-13-6-4-3-5-7-13/h3-9,12,15H,2,10-11,18H2,1H3
InChIKeyFGWKKUUKWNTFEZ-UHFFFAOYSA-N
XLogP3.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine (CID 141063228) is 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine is CCc1ccc(C2C=C(N)ON2CCc2ccccc2)s1.
What is the InChIKey of 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine?
The InChIKey is FGWKKUUKWNTFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-2-14-8-9-16(21-14)15-12-17(18)20-19(15)11-10-13-6-4-3-5-7-13/h3-9,12,15H,2,10-11,18H2,1H3.
What are the key properties of 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine?
3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine has a molecular weight of 300.43 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylthiophen-2-yl)-2-(2-phenylethyl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 141063228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).