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

C20H24N2O4 — CID 119178434

IUPAC2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H24N2O4/c23-19(22-11-9-15(10-12-22)13-20(24)25)8-4-7-18-21-14-17(26-18)16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2,(H,24,25)
InChIKeyJJBGGWNRNCHOKT-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.38
Rot. Bonds7

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

2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid (PubChem CID 119178434) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid
PubChem CID119178434
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H24N2O4/c23-19(22-11-9-15(10-12-22)13-20(24)25)8-4-7-18-21-14-17(26-18)16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2,(H,24,25)
InChIKeyJJBGGWNRNCHOKT-UHFFFAOYSA-N
XLogP3.38
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]piperidin-4-yl]acetic acid
CID 119178646
1-[3-(hydroxymethyl)piperidin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 110890206
4-hydroxy-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidine-4-carboxylic acid
CID 119251502
1-[4-(methylamino)piperidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119560940
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
1-(7-methyl-3-oxa-7,10-diazaspiro[5.6]dodecan-10-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 138016287
3-[(2S)-1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-2-yl]propanoic acid
CID 124699566
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119247740
1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 119470188
1-(2,3-dimethylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 120572312
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 55691412
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 39718387

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid (CID 119178434) is 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid?
The InChIKey is JJBGGWNRNCHOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-19(22-11-9-15(10-12-22)13-20(24)25)8-4-7-18-21-14-17(26-18)16-5-2-1-3-6-16/h1-3,5-6,14-15H,4,7-13H2,(H,24,25).
What are the key properties of 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid?
2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid has a molecular weight of 356.42 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(5-phenyl-1,3-oxazol-2-yl)butanoyl]piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).