N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide

C27H31N3O3 — CID 55718193

IUPACN-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H31N3O3/c1-2-3-9-16-28-25(31)21-14-17-30(18-15-21)27(32)23-13-8-7-12-22(23)26-29-19-24(33-26)20-10-5-4-6-11-20/h4-8,10-13,19,21H,2-3,9,14-18H2,1H3,(H,28,31)
InChIKeyDBMJKBZWGCYLNJ-UHFFFAOYSA-N
MW445.56 g/mol
LogP5.17
Rot. Bonds8

About N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide

N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide (PubChem CID 55718193) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
PubChem CID55718193
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC NameN-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C27H31N3O3/c1-2-3-9-16-28-25(31)21-14-17-30(18-15-21)27(32)23-13-8-7-12-22(23)26-29-19-24(33-26)20-10-5-4-6-11-20/h4-8,10-13,19,21H,2-3,9,14-18H2,1H3,(H,28,31)
InChIKeyDBMJKBZWGCYLNJ-UHFFFAOYSA-N
XLogP5.17
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.56
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
CID 119166332
(3-ethylpiperidin-1-yl)-[2-(5-phenyl-1,3-oxazol-2-yl)phenyl]methanone
CID 55654983
1-(2-aminobenzoyl)-N-pentylpiperidine-4-carboxamide;hydrochloride
CID 119944482
[2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]phenyl]-(4-methylpiperidin-1-yl)methanone
CID 100504958
1-(2-anilinobenzoyl)-N-pentylpiperidine-4-carboxamide
CID 39938111
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-pentylbenzamide
CID 100513748
2-(5-phenyl-1,3-oxazol-2-yl)-N-propylbenzamide
CID 24654497
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-3-carboxamide
CID 71901280
N-pentyl-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107315
N-[[1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 47044268
N-(2-ethylphenyl)-2-[4-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperazin-1-yl]acetamide
CID 31800185
1-[2-(4-methylphenyl)quinoline-4-carbonyl]-N-pentylpiperidine-4-carboxamide
CID 39938186

Frequently Asked Questions

What is the IUPAC name of N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide (CID 55718193) is N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide?
The InChIKey is DBMJKBZWGCYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-2-3-9-16-28-25(31)21-14-17-30(18-15-21)27(32)23-13-8-7-12-22(23)26-29-19-24(33-26)20-10-5-4-6-11-20/h4-8,10-13,19,21H,2-3,9,14-18H2,1H3,(H,28,31).
What are the key properties of N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide?
N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide has a molecular weight of 445.56 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55718193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).