3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one

C22H21FN2O2 — CID 43041691

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)N1CCCC1c1ccccc1
InChIInChI=1S/C22H21FN2O2/c23-18-10-5-4-9-17(18)20-15-24-21(27-20)12-13-22(26)25-14-6-11-19(25)16-7-2-1-3-8-16/h1-5,7-10,15,19H,6,11-14H2
InChIKeyLIPZXJQFCQAWOA-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.78
Rot. Bonds5

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one (PubChem CID 43041691) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
PubChem CID43041691
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)N1CCCC1c1ccccc1
InChIInChI=1S/C22H21FN2O2/c23-18-10-5-4-9-17(18)20-15-24-21(27-20)12-13-22(26)25-14-6-11-19(25)16-7-2-1-3-8-16/h1-5,7-10,15,19H,6,11-14H2
InChIKeyLIPZXJQFCQAWOA-UHFFFAOYSA-N
XLogP4.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 29365121
1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
(3S)-2-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 125152389
1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553
3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid
CID 124701703
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134040089
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55889460
N-(3,4-dichlorophenyl)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidine-2-carboxamide
CID 55603823
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-one
CID 24595519
(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365584
1-[2-(3-bromophenyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 55889332
1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021740

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one (CID 43041691) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one is O=C(CCc1ncc(-c2ccccc2F)o1)N1CCCC1c1ccccc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one?
The InChIKey is LIPZXJQFCQAWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c23-18-10-5-4-9-17(18)20-15-24-21(27-20)12-13-22(26)25-14-6-11-19(25)16-7-2-1-3-8-16/h1-5,7-10,15,19H,6,11-14H2.
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one has a molecular weight of 364.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 43041691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).