[3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone

C16H15F2N3O2 — CID 154995152

IUPAC[3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(c1ccc(F)c(F)c1)CO2)N1CCCC1
InChIInChI=1S/C16H15F2N3O2/c17-11-4-3-10(7-12(11)18)21-9-23-14-8-13(19-15(14)21)16(22)20-5-1-2-6-20/h3-4,7-8,19H,1-2,5-6,9H2
InChIKeyDFANRDYZDOBAGX-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.02
Rot. Bonds2

About [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone

[3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 154995152) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID154995152
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name[3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(c1ccc(F)c(F)c1)CO2)N1CCCC1
InChIInChI=1S/C16H15F2N3O2/c17-11-4-3-10(7-12(11)18)21-9-23-14-8-13(19-15(14)21)16(22)20-5-1-2-6-20/h3-4,7-8,19H,1-2,5-6,9H2
InChIKeyDFANRDYZDOBAGX-UHFFFAOYSA-N
XLogP3.02
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 154995152) is [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2c([nH]1)N(c1ccc(F)c(F)c1)CO2)N1CCCC1.
What is the InChIKey of [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DFANRDYZDOBAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-11-4-3-10(7-12(11)18)21-9-23-14-8-13(19-15(14)21)16(22)20-5-1-2-6-20/h3-4,7-8,19H,1-2,5-6,9H2.
What are the key properties of [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 319.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-difluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154995152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).