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

C16H16N2OS — CID 66198467

IUPAC5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCCc1ccc(-c2onc(N)c2-c2ccc(C)cc2)s1
InChIInChI=1S/C16H16N2OS/c1-3-12-8-9-13(20-12)15-14(16(17)18-19-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,17,18)
InChIKeyFQZQNQCENZGMKH-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.52
Rot. Bonds3

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

5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 66198467) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
PubChem CID66198467
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
SMILESCCc1ccc(-c2onc(N)c2-c2ccc(C)cc2)s1
InChIInChI=1S/C16H16N2OS/c1-3-12-8-9-13(20-12)15-14(16(17)18-19-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,17,18)
InChIKeyFQZQNQCENZGMKH-UHFFFAOYSA-N
XLogP4.52
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.52
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-(4-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine (CID 66198467) is 5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine is CCc1ccc(-c2onc(N)c2-c2ccc(C)cc2)s1.
What is the InChIKey of 5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is FQZQNQCENZGMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2OS/c1-3-12-8-9-13(20-12)15-14(16(17)18-19-15)11-6-4-10(2)5-7-11/h4-9H,3H2,1-2H3,(H2,17,18).
What are the key properties of 5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine?
5-(5-ethylthiophen-2-yl)-4-(4-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 284.38 g/mol, XLogP of 4.52, 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-(4-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).