N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C21H37N3O2 — CID 3440443

IUPACN-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C21H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-20(25)19-17-26-21(24-19)18-12-15-22-16-13-18/h17-18,22H,2-16H2,1H3,(H,23,25)
InChIKeyTWABHTIIJMFCKP-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.79
Rot. Bonds13

About N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 3440443) has the molecular formula C21H37N3O2 and a molecular weight of 363.55 g/mol. Its IUPAC name is N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID3440443
Molecular FormulaC21H37N3O2
Molecular Weight363.55 g/mol
Exact Mass363.29
IUPAC NameN-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C21H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-20(25)19-17-26-21(24-19)18-12-15-22-16-13-18/h17-18,22H,2-16H2,1H3,(H,23,25)
InChIKeyTWABHTIIJMFCKP-UHFFFAOYSA-N
XLogP4.79
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 3440443) is N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is CCCCCCCCCCCCNC(=O)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is TWABHTIIJMFCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O2/c1-2-3-4-5-6-7-8-9-10-11-14-23-20(25)19-17-26-21(24-19)18-12-15-22-16-13-18/h17-18,22H,2-16H2,1H3,(H,23,25).
What are the key properties of N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 363.55 g/mol, XLogP of 4.79, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3440443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).