3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid

C21H26N2O4 — CID 124699566

IUPAC3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CCCCN1C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H26N2O4/c24-20(23-14-5-4-9-17(23)12-13-21(25)26)11-6-10-19-22-15-18(27-19)16-7-2-1-3-8-16/h1-3,7-8,15,17H,4-6,9-14H2,(H,25,26)/t17-/m0/s1
InChIKeyFLALYZWFICFXEI-KRWDZBQOSA-N
MW370.45 g/mol
LogP3.91
Rot. Bonds8

About 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid

3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid (PubChem CID 124699566) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid
PubChem CID124699566
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid
SMILESO=C(O)CC[C@@H]1CCCCN1C(=O)CCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H26N2O4/c24-20(23-14-5-4-9-17(23)12-13-21(25)26)11-6-10-19-22-15-18(27-19)16-7-2-1-3-8-16/h1-3,7-8,15,17H,4-6,9-14H2,(H,25,26)/t17-/m0/s1
InChIKeyFLALYZWFICFXEI-KRWDZBQOSA-N
XLogP3.91
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid
CID 119178434
(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365584
N-(3,5-dichlorophenyl)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]pyrrolidine-2-carboxamide
CID 55965663
1-(2-benzylpyrrolidin-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 24688231
(4S)-4-[(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]piperidin-2-yl]pyrrolidin-2-one
CID 97251025
1-(2,3-dimethylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 120572312
1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 119470188
1-[3-(hydroxymethyl)piperidin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 110890206
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one
CID 119466552
4-hydroxy-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidine-4-carboxylic acid
CID 119251502
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119630842
1-[2-(aminomethyl)piperidin-1-yl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propan-1-one;dihydrochloride
CID 119466551

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid (CID 124699566) is 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid is O=C(O)CC[C@@H]1CCCCN1C(=O)CCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid?
The InChIKey is FLALYZWFICFXEI-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-20(23-14-5-4-9-17(23)12-13-21(25)26)11-6-10-19-22-15-18(27-19)16-7-2-1-3-8-16/h1-3,7-8,15,17H,4-6,9-14H2,(H,25,26)/t17-/m0/s1.
What are the key properties of 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid?
3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid has a molecular weight of 370.45 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 124699566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).