[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone

C21H20FN3O2 — CID 110110107

IUPAC[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCC1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)c1ccncc1
InChIInChI=1S/C21H20FN3O2/c1-21(8-3-11-25(21)19(26)16-6-9-23-10-7-16)20-24-14-18(27-20)13-15-4-2-5-17(22)12-15/h2,4-7,9-10,12,14H,3,8,11,13H2,1H3
InChIKeyDIIDKZPEMDGPPM-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.95
Rot. Bonds4

About [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110110107) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110110107
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCC1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)c1ccncc1
InChIInChI=1S/C21H20FN3O2/c1-21(8-3-11-25(21)19(26)16-6-9-23-10-7-16)20-24-14-18(27-20)13-15-4-2-5-17(22)12-15/h2,4-7,9-10,12,14H,3,8,11,13H2,1H3
InChIKeyDIIDKZPEMDGPPM-UHFFFAOYSA-N
XLogP3.95
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 110110107) is [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone is CC1(c2ncc(Cc3cccc(F)c3)o2)CCCN1C(=O)c1ccncc1.
What is the InChIKey of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is DIIDKZPEMDGPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-21(8-3-11-25(21)19(26)16-6-9-23-10-7-16)20-24-14-18(27-20)13-15-4-2-5-17(22)12-15/h2,4-7,9-10,12,14H,3,8,11,13H2,1H3.
What are the key properties of [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 365.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]-2-methylpyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110110107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).