2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone

C18H21FN2O2 — CID 94106652

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC[C@H]1Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-12-17(13(2)23-20-12)11-18(22)21-8-4-7-16(21)10-14-5-3-6-15(19)9-14/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3/t16-/m0/s1
InChIKeyOLERVPFYSUEYTA-INIZCTEOSA-N
MW316.38 g/mol
LogP3.21
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 94106652) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID94106652
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
SMILESCc1noc(C)c1CC(=O)N1CCC[C@H]1Cc1cccc(F)c1
InChIInChI=1S/C18H21FN2O2/c1-12-17(13(2)23-20-12)11-18(22)21-8-4-7-16(21)10-14-5-3-6-15(19)9-14/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3/t16-/m0/s1
InChIKeyOLERVPFYSUEYTA-INIZCTEOSA-N
XLogP3.21
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone 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

2-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119296824
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 94631075
1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 55808363
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95341364
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]pentan-1-one;hydrochloride
CID 120560785
1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 47079509
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 56779497
[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 99796063
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]ethanone
CID 128972537
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 55808588
1-[(2R)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 94106624
4-amino-1-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 120589509

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone (CID 94106652) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone is Cc1noc(C)c1CC(=O)N1CCC[C@H]1Cc1cccc(F)c1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is OLERVPFYSUEYTA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12-17(13(2)23-20-12)11-18(22)21-8-4-7-16(21)10-14-5-3-6-15(19)9-14/h3,5-6,9,16H,4,7-8,10-11H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 316.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 94106652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).