[3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

C20H18FN3O2 — CID 118784040

IUPAC[3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cccc(-c3ccncc3F)c2)on1
InChIInChI=1S/C20H18FN3O2/c1-13-10-19(26-23-13)18-6-3-9-24(18)20(25)15-5-2-4-14(11-15)16-7-8-22-12-17(16)21/h2,4-5,7-8,10-12,18H,3,6,9H2,1H3
InChIKeyAJLSWLFMXQORTL-UHFFFAOYSA-N
MW351.38 g/mol
LogP4.16
Rot. Bonds3

About [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone

[3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 118784040) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID118784040
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name[3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cccc(-c3ccncc3F)c2)on1
InChIInChI=1S/C20H18FN3O2/c1-13-10-19(26-23-13)18-6-3-9-24(18)20(25)15-5-2-4-14(11-15)16-7-8-22-12-17(16)21/h2,4-5,7-8,10-12,18H,3,6,9H2,1H3
InChIKeyAJLSWLFMXQORTL-UHFFFAOYSA-N
XLogP4.16
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone 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-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]-pyridin-4-ylmethanone
CID 110225793
(2-fluorophenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 92554001
(6-bromo-3-pyridinyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 66465090
(2,6-dimethoxyphenyl)-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731482
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 53017114
(3-amino-4-bromophenyl)-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 61109953
1-benzothiophen-5-yl-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 70759416
furan-2-yl-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 92731513
cyclohexyl-[2-(3-methyl-1,2-oxazol-5-yl)azepan-1-yl]methanone
CID 56920108
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 91763073
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809663
[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97190536

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone (CID 118784040) is [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2cccc(-c3ccncc3F)c2)on1.
What is the InChIKey of [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AJLSWLFMXQORTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c1-13-10-19(26-23-13)18-6-3-9-24(18)20(25)15-5-2-4-14(11-15)16-7-8-22-12-17(16)21/h2,4-5,7-8,10-12,18H,3,6,9H2,1H3.
What are the key properties of [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone?
[3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 351.38 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-pyridinyl)phenyl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 118784040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).