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

C16H16FN3O2 — CID 154995160

IUPAC[3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(c1ccccc1F)CO2)N1CCCC1
InChIInChI=1S/C16H16FN3O2/c17-11-5-1-2-6-13(11)20-10-22-14-9-12(18-15(14)20)16(21)19-7-3-4-8-19/h1-2,5-6,9,18H,3-4,7-8,10H2
InChIKeyKYCKBRIKOKFKHC-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.88
Rot. Bonds2

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

[3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 154995160) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID154995160
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name[3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c([nH]1)N(c1ccccc1F)CO2)N1CCCC1
InChIInChI=1S/C16H16FN3O2/c17-11-5-1-2-6-13(11)20-10-22-14-9-12(18-15(14)20)16(21)19-7-3-4-8-19/h1-2,5-6,9,18H,3-4,7-8,10H2
InChIKeyKYCKBRIKOKFKHC-UHFFFAOYSA-N
XLogP2.88
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone 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 [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone (CID 154995160) is [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2c([nH]1)N(c1ccccc1F)CO2)N1CCCC1.
What is the InChIKey of [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KYCKBRIKOKFKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c17-11-5-1-2-6-13(11)20-10-22-14-9-12(18-15(14)20)16(21)19-7-3-4-8-19/h1-2,5-6,9,18H,3-4,7-8,10H2.
What are the key properties of [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone?
[3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 301.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluorophenyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 154995160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).