[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone

C20H24FN3O3 — CID 131681221

IUPAC[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccc(F)c(C)c2)C3)C1
InChIInChI=1S/C20H24FN3O3/c1-13-9-14(3-4-16(13)21)10-23-7-6-18-17(12-23)22-19(27-18)20(25)24-8-5-15(11-24)26-2/h3-4,9,15H,5-8,10-12H2,1-2H3
InChIKeyLTIOAQFSPSYGOX-UHFFFAOYSA-N
MW373.43 g/mol
LogP2.54
Rot. Bonds4

About [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone

[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone (PubChem CID 131681221) has the molecular formula C20H24FN3O3 and a molecular weight of 373.43 g/mol. Its IUPAC name is [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
PubChem CID131681221
Molecular FormulaC20H24FN3O3
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone
SMILESCOC1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccc(F)c(C)c2)C3)C1
InChIInChI=1S/C20H24FN3O3/c1-13-9-14(3-4-16(13)21)10-23-7-6-18-17(12-23)22-19(27-18)20(25)24-8-5-15(11-24)26-2/h3-4,9,15H,5-8,10-12H2,1-2H3
InChIKeyLTIOAQFSPSYGOX-UHFFFAOYSA-N
XLogP2.54
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The IUPAC name of [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone (CID 131681221) is [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The canonical SMILES for [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone is COC1CCN(C(=O)c2nc3c(o2)CCN(Cc2ccc(F)c(C)c2)C3)C1.
What is the InChIKey of [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
The InChIKey is LTIOAQFSPSYGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O3/c1-13-9-14(3-4-16(13)21)10-23-7-6-18-17(12-23)22-19(27-18)20(25)24-8-5-15(11-24)26-2/h3-4,9,15H,5-8,10-12H2,1-2H3.
What are the key properties of [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone?
[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone has a molecular weight of 373.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-2-yl]-(3-methoxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 131681221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).