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

C20H16ClFN2O2 — CID 59170222

IUPAC[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H16ClFN2O2/c21-18-4-2-1-3-16(18)19-17(11-23-26-19)20(25)24-10-9-14(12-24)13-5-7-15(22)8-6-13/h1-8,11,14H,9-10,12H2
InChIKeyMWUKSNCFVWIFPG-UHFFFAOYSA-N
MW370.81 g/mol
LogP4.76
Rot. Bonds3

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

[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 59170222) has the molecular formula C20H16ClFN2O2 and a molecular weight of 370.81 g/mol. Its IUPAC name is [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID59170222
Molecular FormulaC20H16ClFN2O2
Molecular Weight370.81 g/mol
Exact Mass370.09
IUPAC Name[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C20H16ClFN2O2/c21-18-4-2-1-3-16(18)19-17(11-23-26-19)20(25)24-10-9-14(12-24)13-5-7-15(22)8-6-13/h1-8,11,14H,9-10,12H2
InChIKeyMWUKSNCFVWIFPG-UHFFFAOYSA-N
XLogP4.76
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.81
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 59170047
[3-(4-chlorophenyl)pyrrolidin-1-yl]-[5-[4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanone
CID 59170126
[5-(4-ethenylphenyl)-1,2-oxazol-4-yl]-(3-phenylpyrrolidin-1-yl)methanone
CID 24809861
(5-phenyl-1,2-oxazol-4-yl)-(3-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 59170262
(2-chloro-4-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 121130954
(2-fluorophenyl)-[3-(4-fluorophenyl)azepan-1-yl]methanone
CID 90608763
[5-(4-methylphenyl)-1,2-oxazol-4-yl]-(3-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24809686
[5-(3-chlorophenyl)-1,2-oxazol-4-yl]-[(3R)-3-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 59170215
(2-chloro-4-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608526
[5-(2-methylphenyl)-1,2-oxazol-4-yl]-piperazin-1-ylmethanone
CID 95474291
[(3R)-3-(4-fluorophenyl)azepan-1-yl]-(2-methylsulfanylphenyl)methanone
CID 99903015
1,2-oxazol-5-yl-[(3R)-3-phenylpyrrolidin-1-yl]methanone
CID 51897824

Frequently Asked Questions

What is the IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 59170222) is [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone is O=C(c1cnoc1-c1ccccc1Cl)N1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is MWUKSNCFVWIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN2O2/c21-18-4-2-1-3-16(18)19-17(11-23-26-19)20(25)24-10-9-14(12-24)13-5-7-15(22)8-6-13/h1-8,11,14H,9-10,12H2.
What are the key properties of [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
[5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 370.81 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chlorophenyl)-1,2-oxazol-4-yl]-[3-(4-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 59170222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).