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

C17H19N3O4 — CID 122000164

IUPAC1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C17H19N3O4/c21-16(22)13-6-8-20(9-7-13)17(23)18-11-14-10-15(24-19-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,23)(H,21,22)
InChIKeySSKVQWYSIKYLHQ-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.35
Rot. Bonds4

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

1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122000164) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122000164
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2cc(-c3ccccc3)on2)CC1
InChIInChI=1S/C17H19N3O4/c21-16(22)13-6-8-20(9-7-13)17(23)18-11-14-10-15(24-19-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,23)(H,21,22)
InChIKeySSKVQWYSIKYLHQ-UHFFFAOYSA-N
XLogP2.35
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-2-propan-2-ylazetidine-1-carboxamide
CID 154743624
1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010895
2-phenyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]acetamide
CID 16866545
N-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-4-methylpiperazine-1-carboxamide
CID 122569549
4-chloro-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 16866496
cis-(1S,2R)-2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 95150035
1-[(5-ethylthiophen-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106005646
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]adamantane-1-carboxamide
CID 16866467
5-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 134127778
1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-4-carboxamide
CID 1093757
(3R)-1-(4-methylbenzoyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 52516163

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 122000164) is 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2cc(-c3ccccc3)on2)CC1.
What is the InChIKey of 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is SSKVQWYSIKYLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-16(22)13-6-8-20(9-7-13)17(23)18-11-14-10-15(24-19-14)12-4-2-1-3-5-12/h1-5,10,13H,6-9,11H2,(H,18,23)(H,21,22).
What are the key properties of 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122000164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).