[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone

C21H20F2N2O2 — CID 45191345

IUPAC[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(Cc2ccc(F)cc2)=NO1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C21H20F2N2O2/c22-16-7-5-14(6-8-16)11-17-12-20(27-24-17)21(26)25-10-9-15(13-25)18-3-1-2-4-19(18)23/h1-8,15,20H,9-13H2
InChIKeySPIQYBXYUVSQKN-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.67
Rot. Bonds4

About [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone

[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 45191345) has the molecular formula C21H20F2N2O2 and a molecular weight of 370.40 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID45191345
Molecular FormulaC21H20F2N2O2
Molecular Weight370.40 g/mol
Exact Mass370.15
IUPAC Name[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC(Cc2ccc(F)cc2)=NO1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C21H20F2N2O2/c22-16-7-5-14(6-8-16)11-17-12-20(27-24-17)21(26)25-10-9-15(13-25)18-3-1-2-4-19(18)23/h1-8,15,20H,9-13H2
InChIKeySPIQYBXYUVSQKN-UHFFFAOYSA-N
XLogP3.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone (CID 45191345) is [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(C1CC(Cc2ccc(F)cc2)=NO1)N1CCC(c2ccccc2F)C1.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is SPIQYBXYUVSQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N2O2/c22-16-7-5-14(6-8-16)11-17-12-20(27-24-17)21(26)25-10-9-15(13-25)18-3-1-2-4-19(18)23/h1-8,15,20H,9-13H2.
What are the key properties of [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone?
[3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 370.40 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[3-(2-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 45191345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).