N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide

C20H20ClN3O3 — CID 46196221

IUPACN-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide
SMILESO=C(CC1CCN2C(=O)OCC2C1)Nc1ccc(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C20H20ClN3O3/c21-16-3-1-2-14(10-16)15-4-5-18(22-11-15)23-19(25)9-13-6-7-24-17(8-13)12-27-20(24)26/h1-5,10-11,13,17H,6-9,12H2,(H,22,23,25)
InChIKeyQZLHVWSBSFEZQV-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.96
Rot. Bonds4

About N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide

N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide (PubChem CID 46196221) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide
PubChem CID46196221
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide
SMILESO=C(CC1CCN2C(=O)OCC2C1)Nc1ccc(-c2cccc(Cl)c2)cn1
InChIInChI=1S/C20H20ClN3O3/c21-16-3-1-2-14(10-16)15-4-5-18(22-11-15)23-19(25)9-13-6-7-24-17(8-13)12-27-20(24)26/h1-5,10-11,13,17H,6-9,12H2,(H,22,23,25)
InChIKeyQZLHVWSBSFEZQV-UHFFFAOYSA-N
XLogP3.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide?
The IUPAC name of N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide (CID 46196221) is N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide is O=C(CC1CCN2C(=O)OCC2C1)Nc1ccc(-c2cccc(Cl)c2)cn1.
What is the InChIKey of N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide?
The InChIKey is QZLHVWSBSFEZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c21-16-3-1-2-14(10-16)15-4-5-18(22-11-15)23-19(25)9-13-6-7-24-17(8-13)12-27-20(24)26/h1-5,10-11,13,17H,6-9,12H2,(H,22,23,25).
What are the key properties of N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide?
N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide has a molecular weight of 385.85 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-2-pyridinyl]-2-(3-oxo-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide is sourced from PubChem (CID 46196221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).