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

C17H19FN2O2 — CID 70704985

IUPAC(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCCC2c2ccc(F)cc2)o1
InChIInChI=1S/C17H19FN2O2/c1-3-15-19-11(2)16(22-15)17(21)20-10-4-5-14(20)12-6-8-13(18)9-7-12/h6-9,14H,3-5,10H2,1-2H3
InChIKeyTVJLTXGXIQWBLD-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.66
Rot. Bonds3

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

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (PubChem CID 70704985) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
PubChem CID70704985
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
SMILESCCc1nc(C)c(C(=O)N2CCCC2c2ccc(F)cc2)o1
InChIInChI=1S/C17H19FN2O2/c1-3-15-19-11(2)16(22-15)17(21)20-10-4-5-14(20)12-6-8-13(18)9-7-12/h6-9,14H,3-5,10H2,1-2H3
InChIKeyTVJLTXGXIQWBLD-UHFFFAOYSA-N
XLogP3.66
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 70737169
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[(2S,3S,6S)-3-(4-fluorophenyl)-1,5-diazatricyclo[5.2.2.02,6]undecan-5-yl]methanone
CID 133124247
(2'S,3R)-1'-(2-ethyl-4-methyl-1,3-oxazole-5-carbonyl)-2'-(4-fluorophenyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615691
[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]pyrrolidin-1-yl]-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 95835820
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 53001446
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[4,3-b]pyridin-5-yl)methanone
CID 130423454
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]butan-1-one
CID 51075833
[2-[2-(dimethylamino)-5-phenylpyrimidin-4-yl]pyrrolidin-1-yl]-(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanone
CID 110266280
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46266463
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 50747022
[1-(4-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 39976399
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone
CID 72705885

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone (CID 70704985) is (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is CCc1nc(C)c(C(=O)N2CCCC2c2ccc(F)cc2)o1.
What is the InChIKey of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
The InChIKey is TVJLTXGXIQWBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-3-15-19-11(2)16(22-15)17(21)20-10-4-5-14(20)12-6-8-13(18)9-7-12/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone?
(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70704985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).