5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine

C15H14N2OS — CID 66200911

IUPAC5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
SMILESCCc1ccc(-c2onc(N)c2-c2ccccc2)s1
InChIInChI=1S/C15H14N2OS/c1-2-11-8-9-12(19-11)14-13(15(16)17-18-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,16,17)
InChIKeyYLMMRNBUTMEXDA-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.21
Rot. Bonds3

About 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine

5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 66200911) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID66200911
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine
SMILESCCc1ccc(-c2onc(N)c2-c2ccccc2)s1
InChIInChI=1S/C15H14N2OS/c1-2-11-8-9-12(19-11)14-13(15(16)17-18-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,16,17)
InChIKeyYLMMRNBUTMEXDA-UHFFFAOYSA-N
XLogP4.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine (CID 66200911) is 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine is CCc1ccc(-c2onc(N)c2-c2ccccc2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is YLMMRNBUTMEXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-11-8-9-12(19-11)14-13(15(16)17-18-14)10-6-4-3-5-7-10/h3-9H,2H2,1H3,(H2,16,17).
What are the key properties of 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine?
5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 270.36 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylthiophen-2-yl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).