5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine

C16H15N3O2 — CID 80522490

IUPAC5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2onc(N)c2-c2cccnc2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-20-13-7-5-11(6-8-13)15-14(16(17)19-21-15)12-4-3-9-18-10-12/h3-10H,2H2,1H3,(H2,17,19)
InChIKeyJBTRWHJAVFULSE-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.38
Rot. Bonds4

About 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine

5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 80522490) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID80522490
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2onc(N)c2-c2cccnc2)cc1
InChIInChI=1S/C16H15N3O2/c1-2-20-13-7-5-11(6-8-13)15-14(16(17)19-21-15)12-4-3-9-18-10-12/h3-10H,2H2,1H3,(H2,17,19)
InChIKeyJBTRWHJAVFULSE-UHFFFAOYSA-N
XLogP3.38
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 80522490) is 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is CCOc1ccc(-c2onc(N)c2-c2cccnc2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is JBTRWHJAVFULSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-20-13-7-5-11(6-8-13)15-14(16(17)19-21-15)12-4-3-9-18-10-12/h3-10H,2H2,1H3,(H2,17,19).
What are the key properties of 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 281.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80522490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).