N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide

C18H14N4O4 — CID 154810892

IUPACN-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc3oc(-c4ccccn4)nc3c2)C(=O)N1
InChIInChI=1S/C18H14N4O4/c23-15-7-5-11(17(25)22-15)20-16(24)10-4-6-14-13(9-10)21-18(26-14)12-3-1-2-8-19-12/h1-4,6,8-9,11H,5,7H2,(H,20,24)(H,22,23,25)
InChIKeyANYBXODTJOQRAV-UHFFFAOYSA-N
MW350.33 g/mol
LogP1.42
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide

N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide (PubChem CID 154810892) has the molecular formula C18H14N4O4 and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide
PubChem CID154810892
Molecular FormulaC18H14N4O4
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc3oc(-c4ccccn4)nc3c2)C(=O)N1
InChIInChI=1S/C18H14N4O4/c23-15-7-5-11(17(25)22-15)20-16(24)10-4-6-14-13(9-10)21-18(26-14)12-3-1-2-8-19-12/h1-4,6,8-9,11H,5,7H2,(H,20,24)(H,22,23,25)
InChIKeyANYBXODTJOQRAV-UHFFFAOYSA-N
XLogP1.42
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide (CID 154810892) is N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide is O=C1CCC(NC(=O)c2ccc3oc(-c4ccccn4)nc3c2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide?
The InChIKey is ANYBXODTJOQRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4/c23-15-7-5-11(17(25)22-15)20-16(24)10-4-6-14-13(9-10)21-18(26-14)12-3-1-2-8-19-12/h1-4,6,8-9,11H,5,7H2,(H,20,24)(H,22,23,25).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 154810892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).