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

C16H27N3O2 — CID 3785755

IUPACN-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H27N3O2/c1-3-4-5-6-12(2)18-15(20)14-11-21-16(19-14)13-7-9-17-10-8-13/h11-13,17H,3-10H2,1-2H3,(H,18,20)
InChIKeyYFGKWJABHGYUIM-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.84
Rot. Bonds7

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

N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 3785755) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID3785755
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC NameN-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCC(C)NC(=O)c1coc(C2CCNCC2)n1
InChIInChI=1S/C16H27N3O2/c1-3-4-5-6-12(2)18-15(20)14-11-21-16(19-14)13-7-9-17-10-8-13/h11-13,17H,3-10H2,1-2H3,(H,18,20)
InChIKeyYFGKWJABHGYUIM-UHFFFAOYSA-N
XLogP2.84
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 3785755) is N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is CCCCCC(C)NC(=O)c1coc(C2CCNCC2)n1.
What is the InChIKey of N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is YFGKWJABHGYUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-4-5-6-12(2)18-15(20)14-11-21-16(19-14)13-7-9-17-10-8-13/h11-13,17H,3-10H2,1-2H3,(H,18,20).
What are the key properties of N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 293.41 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3785755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).