N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide

C22H23F2N3O3 — CID 67400246

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide
SMILESCC1(C)OC(=O)N2CCC(CC(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC21
InChIInChI=1S/C22H23F2N3O3/c1-22(2)18-7-13(5-6-27(18)21(29)30-22)8-20(28)26-19-4-3-14(12-25-19)15-9-16(23)11-17(24)10-15/h3-4,9-13,18H,5-8H2,1-2H3,(H,25,26,28)
InChIKeyNAPWVDMGXMMLTK-UHFFFAOYSA-N
MW415.44 g/mol
LogP4.36
Rot. Bonds4

About N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide (PubChem CID 67400246) has the molecular formula C22H23F2N3O3 and a molecular weight of 415.44 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide
PubChem CID67400246
Molecular FormulaC22H23F2N3O3
Molecular Weight415.44 g/mol
Exact Mass415.17
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide
SMILESCC1(C)OC(=O)N2CCC(CC(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC21
InChIInChI=1S/C22H23F2N3O3/c1-22(2)18-7-13(5-6-27(18)21(29)30-22)8-20(28)26-19-4-3-14(12-25-19)15-9-16(23)11-17(24)10-15/h3-4,9-13,18H,5-8H2,1-2H3,(H,25,26,28)
InChIKeyNAPWVDMGXMMLTK-UHFFFAOYSA-N
XLogP4.36
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.44
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[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-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide (CID 67400246) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide is CC1(C)OC(=O)N2CCC(CC(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC21.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide?
The InChIKey is NAPWVDMGXMMLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O3/c1-22(2)18-7-13(5-6-27(18)21(29)30-22)8-20(28)26-19-4-3-14(12-25-19)15-9-16(23)11-17(24)10-15/h3-4,9-13,18H,5-8H2,1-2H3,(H,25,26,28).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide has a molecular weight of 415.44 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetamide is sourced from PubChem (CID 67400246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).