3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid

C20H23FN2O4 — CID 124701703

IUPAC3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)C1
InChIInChI=1S/C20H23FN2O4/c21-16-6-2-1-5-15(16)17-12-22-18(27-17)8-9-19(24)23-11-3-4-14(13-23)7-10-20(25)26/h1-2,5-6,12,14H,3-4,7-11,13H2,(H,25,26)/t14-/m1/s1
InChIKeyRUKHVQNUBBRHSR-CQSZACIVSA-N
MW374.41 g/mol
LogP3.52
Rot. Bonds7

About 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid

3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid (PubChem CID 124701703) has the molecular formula C20H23FN2O4 and a molecular weight of 374.41 g/mol. Its IUPAC name is 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid
PubChem CID124701703
Molecular FormulaC20H23FN2O4
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)C1
InChIInChI=1S/C20H23FN2O4/c21-16-6-2-1-5-15(16)17-12-22-18(27-17)8-9-19(24)23-11-3-4-14(13-23)7-10-20(25)26/h1-2,5-6,12,14H,3-4,7-11,13H2,(H,25,26)/t14-/m1/s1
InChIKeyRUKHVQNUBBRHSR-CQSZACIVSA-N
XLogP3.52
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid with MolForge

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Related Compounds

1-(3-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119379130
1-(4-aminopiperidin-1-yl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119374553
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 119248343
tert-butyl N-[[(3S)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 51963418
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 134040089
1-[(3R)-3-aminopiperidin-1-yl]-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 124593535
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-(2-phenylpyrrolidin-1-yl)propan-1-one
CID 43041691
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 120656321
3-[(3S)-1-[2-(2-fluorophenyl)-1,3-thiazole-5-carbonyl]piperidin-3-yl]propanoic acid
CID 124700912
1-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021740
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-1-[4-(3-hydroxyazetidin-3-yl)piperidin-1-yl]propan-1-one
CID 166305757
1-(3-aminopyrrolidin-1-yl)-3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119482722

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid (CID 124701703) is 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)CCc2ncc(-c3ccccc3F)o2)C1.
What is the InChIKey of 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid?
The InChIKey is RUKHVQNUBBRHSR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23FN2O4/c21-16-6-2-1-5-15(16)17-12-22-18(27-17)8-9-19(24)23-11-3-4-14(13-23)7-10-20(25)26/h1-2,5-6,12,14H,3-4,7-11,13H2,(H,25,26)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid has a molecular weight of 374.41 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124701703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).