2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide

C16H19N3O4 — CID 119100091

IUPAC2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide
SMILESCOCCOc1cc(C(=O)Nc2onc3c2CCCC3)ccn1
InChIInChI=1S/C16H19N3O4/c1-21-8-9-22-14-10-11(6-7-17-14)15(20)18-16-12-4-2-3-5-13(12)19-23-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,20)
InChIKeyKMUGDMQQTWMUGK-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.23
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide

2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide (PubChem CID 119100091) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide
PubChem CID119100091
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide
SMILESCOCCOc1cc(C(=O)Nc2onc3c2CCCC3)ccn1
InChIInChI=1S/C16H19N3O4/c1-21-8-9-22-14-10-11(6-7-17-14)15(20)18-16-12-4-2-3-5-13(12)19-23-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,20)
InChIKeyKMUGDMQQTWMUGK-UHFFFAOYSA-N
XLogP2.23
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide (CID 119100091) is 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide is COCCOc1cc(C(=O)Nc2onc3c2CCCC3)ccn1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide?
The InChIKey is KMUGDMQQTWMUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-21-8-9-22-14-10-11(6-7-17-14)15(20)18-16-12-4-2-3-5-13(12)19-23-16/h6-7,10H,2-5,8-9H2,1H3,(H,18,20).
What are the key properties of 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide?
2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 119100091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).