2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide

C19H19N3O2 — CID 66621388

IUPAC2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2nc(-c3cccc(C4CCNCC4)c3)oc12
InChIInChI=1S/C19H19N3O2/c20-18(23)15-5-2-6-16-17(15)24-19(22-16)14-4-1-3-13(11-14)12-7-9-21-10-8-12/h1-6,11-12,21H,7-10H2,(H2,20,23)
InChIKeyCEJVOKBNUDMJHH-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.06
Rot. Bonds3

About 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide

2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide (PubChem CID 66621388) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide.

Molecular Properties

Compound Name2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide
PubChem CID66621388
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide
SMILESNC(=O)c1cccc2nc(-c3cccc(C4CCNCC4)c3)oc12
InChIInChI=1S/C19H19N3O2/c20-18(23)15-5-2-6-16-17(15)24-19(22-16)14-4-1-3-13(11-14)12-7-9-21-10-8-12/h1-6,11-12,21H,7-10H2,(H2,20,23)
InChIKeyCEJVOKBNUDMJHH-UHFFFAOYSA-N
XLogP3.06
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide?
The IUPAC name of 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide (CID 66621388) is 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide.
What is the SMILES notation for 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide?
The canonical SMILES for 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide is NC(=O)c1cccc2nc(-c3cccc(C4CCNCC4)c3)oc12.
What is the InChIKey of 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide?
The InChIKey is CEJVOKBNUDMJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c20-18(23)15-5-2-6-16-17(15)24-19(22-16)14-4-1-3-13(11-14)12-7-9-21-10-8-12/h1-6,11-12,21H,7-10H2,(H2,20,23).
What are the key properties of 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide?
2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-ylphenyl)-1,3-benzoxazole-7-carboxamide is sourced from PubChem (CID 66621388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).