N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

C14H21N3O3 — CID 29105716

IUPACN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)C(=O)N1CCC(CNC(=O)c2ccno2)CC1
InChIInChI=1S/C14H21N3O3/c1-10(2)14(19)17-7-4-11(5-8-17)9-15-13(18)12-3-6-16-20-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,15,18)
InChIKeyWFXFBZWDNWNPAU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.30
Rot. Bonds4

About N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide

N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 29105716) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID29105716
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCC(C)C(=O)N1CCC(CNC(=O)c2ccno2)CC1
InChIInChI=1S/C14H21N3O3/c1-10(2)14(19)17-7-4-11(5-8-17)9-15-13(18)12-3-6-16-20-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,15,18)
InChIKeyWFXFBZWDNWNPAU-UHFFFAOYSA-N
XLogP1.30
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide (CID 29105716) is N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is CC(C)C(=O)N1CCC(CNC(=O)c2ccno2)CC1.
What is the InChIKey of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is WFXFBZWDNWNPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(2)14(19)17-7-4-11(5-8-17)9-15-13(18)12-3-6-16-20-12/h3,6,10-11H,4-5,7-9H2,1-2H3,(H,15,18).
What are the key properties of N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide?
N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 29105716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).