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

C22H22FN3O2 — CID 92615648

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(F)c3)cn2)o1
InChIInChI=1S/C22H22FN3O2/c1-14-21(28-15(2)25-14)22(27)26-10-4-7-20(26)19-9-8-17(13-24-19)11-16-5-3-6-18(23)12-16/h3,5-6,8-9,12-13,20H,4,7,10-11H2,1-2H3/t20-/m1/s1
InChIKeyYNHZQQFJCMVNBS-HXUWFJFHSA-N
MW379.44 g/mol
LogP4.39
Rot. Bonds4

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

(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 92615648) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID92615648
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(F)c3)cn2)o1
InChIInChI=1S/C22H22FN3O2/c1-14-21(28-15(2)25-14)22(27)26-10-4-7-20(26)19-9-8-17(13-24-19)11-16-5-3-6-18(23)12-16/h3,5-6,8-9,12-13,20H,4,7,10-11H2,1-2H3/t20-/m1/s1
InChIKeyYNHZQQFJCMVNBS-HXUWFJFHSA-N
XLogP4.39
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

[2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 110263963
[(2S)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92615655
[(2R)-2-(5-benzyl-2-pyridinyl)pyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 92615654
3-[(4,6-dimethylpyrimidin-2-yl)amino]-1-[2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 110264000
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3S)-3-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92616522
3-[3-[(2S)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-3-oxopropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 92615627
(1,3-dimethylpyrazol-4-yl)-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263955
[(2S)-2-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95818289
N-[[6-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3-pyridinyl]methyl]acetamide
CID 124973479
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 92615597
[2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 110119921
cyclopentyl-[2-[5-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 110263943

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone (CID 92615648) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(F)c3)cn2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is YNHZQQFJCMVNBS-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-21(28-15(2)25-14)22(27)26-10-4-7-20(26)19-9-8-17(13-24-19)11-16-5-3-6-18(23)12-16/h3,5-6,8-9,12-13,20H,4,7,10-11H2,1-2H3/t20-/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 379.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(2R)-2-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92615648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).