1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid

C22H20N2O4 — CID 119166332

IUPAC1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H20N2O4/c25-21(24-12-10-16(11-13-24)22(26)27)18-9-5-4-8-17(18)20-23-14-19(28-20)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,26,27)
InChIKeySJGHREVXPBYSQZ-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.95
Rot. Bonds4

About 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid

1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid (PubChem CID 119166332) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
PubChem CID119166332
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C22H20N2O4/c25-21(24-12-10-16(11-13-24)22(26)27)18-9-5-4-8-17(18)20-23-14-19(28-20)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,26,27)
InChIKeySJGHREVXPBYSQZ-UHFFFAOYSA-N
XLogP3.95
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
CID 55718193
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 71901280
(3-ethylpiperidin-1-yl)-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
CID 55654983
[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 100504958
[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 17446724
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
CID 120819402
N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044268
2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 30887702
N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 31800185
(4-benzhydrylpiperazin-1-yl)-[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100505048
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
CID 119636036
3,4-dihydro-1H-isoquinolin-2-yl-[2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100503279

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid (CID 119166332) is 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is SJGHREVXPBYSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21(24-12-10-16(11-13-24)22(26)27)18-9-5-4-8-17(18)20-23-14-19(28-20)15-6-2-1-3-7-15/h1-9,14,16H,10-13H2,(H,26,27).
What are the key properties of 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid?
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).