5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide

C17H15N3O2 — CID 150334291

IUPAC5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NCCc1ccncc1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O2/c21-16(19-11-8-13-6-9-18-10-7-13)17-20-12-15(22-17)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2,(H,19,21)
InChIKeyGQILSCIGKJSVGS-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.71
Rot. Bonds5

About 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide

5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide (PubChem CID 150334291) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide
PubChem CID150334291
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide
SMILESO=C(NCCc1ccncc1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C17H15N3O2/c21-16(19-11-8-13-6-9-18-10-7-13)17-20-12-15(22-17)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2,(H,19,21)
InChIKeyGQILSCIGKJSVGS-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide?
The IUPAC name of 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide (CID 150334291) is 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide.
What is the SMILES notation for 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide?
The canonical SMILES for 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide is O=C(NCCc1ccncc1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide?
The InChIKey is GQILSCIGKJSVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c21-16(19-11-8-13-6-9-18-10-7-13)17-20-12-15(22-17)14-4-2-1-3-5-14/h1-7,9-10,12H,8,11H2,(H,19,21).
What are the key properties of 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide?
5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-(2-pyridin-4-ylethyl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 150334291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).