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

C23H25FN4O2 — CID 125002626

IUPAC1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccccn1
InChIInChI=1S/C23H25FN4O2/c1-27(15-19-5-2-3-11-25-19)16-22(29)28-12-4-6-21(28)23-26-14-20(30-23)13-17-7-9-18(24)10-8-17/h2-3,5,7-11,14,21H,4,6,12-13,15-16H2,1H3/t21-/m0/s1
InChIKeySLTYMNJQQYEGDY-NRFANRHFSA-N
MW408.48 g/mol
LogP3.60
Rot. Bonds7

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

1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (PubChem CID 125002626) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
PubChem CID125002626
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC Name1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
SMILESCN(CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccccn1
InChIInChI=1S/C23H25FN4O2/c1-27(15-19-5-2-3-11-25-19)16-22(29)28-12-4-6-21(28)23-26-14-20(30-23)13-17-7-9-18(24)10-8-17/h2-3,5,7-11,14,21H,4,6,12-13,15-16H2,1H3/t21-/m0/s1
InChIKeySLTYMNJQQYEGDY-NRFANRHFSA-N
XLogP3.60
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorophenyl)methyl-methylamino]-1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 155983761
1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 110120892
1-[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110121097
2-(azepan-1-yl)-1-[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125023843
2-(dimethylamino)-1-[(2R)-2-[5-[(3-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125003240
2-(2-fluorophenoxy)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125006601
[(2R)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-pyrimidin-2-ylmethanone
CID 124957841
2-(2-ethylimidazol-1-yl)-1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]ethanone
CID 125020032
[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 124951328
2-[(2-fluorophenyl)methyl-methylamino]-1-[(2R)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
CID 129458192
[2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099261
1-[(3R)-3-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125000595

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (CID 125002626) is 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is CN(CC(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1)Cc1ccccn1.
What is the InChIKey of 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
The InChIKey is SLTYMNJQQYEGDY-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25FN4O2/c1-27(15-19-5-2-3-11-25-19)16-22(29)28-12-4-6-21(28)23-26-14-20(30-23)13-17-7-9-18(24)10-8-17/h2-3,5,7-11,14,21H,4,6,12-13,15-16H2,1H3/t21-/m0/s1.
What are the key properties of 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone?
1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone has a molecular weight of 408.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-[5-[(4-fluorophenyl)methyl]-1,3-oxazol-2-yl]pyrrolidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 125002626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).