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

C16H27N3O2 — CID 3440445

IUPACN-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCNC(=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H27N3O2/c1-2-3-4-5-6-9-18-15(20)14-12-21-16(19-14)13-7-10-17-11-8-13/h12-13,17H,2-11H2,1H3,(H,18,20)
InChIKeyJQLJHOZRYBCLCV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.84
Rot. Bonds8

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

N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 3440445) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID3440445
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCNC(=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H27N3O2/c1-2-3-4-5-6-9-18-15(20)14-12-21-16(19-14)13-7-10-17-11-8-13/h12-13,17H,2-11H2,1H3,(H,18,20)
InChIKeyJQLJHOZRYBCLCV-UHFFFAOYSA-N
XLogP2.84
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.84
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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Related Compounds

N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785755
N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 4994793
N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3433625
N-cyclopropyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3864461
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3870656
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3502630
N-[(2-chlorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3785757
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
N-octyl-4-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 154661041
diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate
CID 3852120
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 3440445) is N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is CCCCCCCNC(=O)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is JQLJHOZRYBCLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-2-3-4-5-6-9-18-15(20)14-12-21-16(19-14)13-7-10-17-11-8-13/h12-13,17H,2-11H2,1H3,(H,18,20).
What are the key properties of N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3440445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).