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

C17H19FN2O2 — CID 22586684

IUPAC(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cccc(F)c2)no1
InChIInChI=1S/C17H19FN2O2/c1-11(2)16-10-14(19-22-16)15-7-4-8-20(15)17(21)12-5-3-6-13(18)9-12/h3,5-6,9-11,15H,4,7-8H2,1-2H3
InChIKeyAUABVRJNHQXBOV-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.91
Rot. Bonds3

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

(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 22586684) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID22586684
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)c1cc(C2CCCN2C(=O)c2cccc(F)c2)no1
InChIInChI=1S/C17H19FN2O2/c1-11(2)16-10-14(19-22-16)15-7-4-8-20(15)17(21)12-5-3-6-13(18)9-12/h3,5-6,9-11,15H,4,7-8H2,1-2H3
InChIKeyAUABVRJNHQXBOV-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylphenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 95052029
(4-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 22586683
(4-fluorophenyl)-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731701
(2-fluorophenyl)-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92731704
2-[3-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carbonyl]anilino]acetic acid
CID 50951772
N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946822
(2S)-N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070350
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 50809168
[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 93070162
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95051971
(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 22586684) is (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CC(C)c1cc(C2CCCN2C(=O)c2cccc(F)c2)no1.
What is the InChIKey of (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AUABVRJNHQXBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-11(2)16-10-14(19-22-16)15-7-4-8-20(15)17(21)12-5-3-6-13(18)9-12/h3,5-6,9-11,15H,4,7-8H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22586684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).