N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C19H27N3O3 — CID 70719590

IUPACN-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2CCCN(Cc3ccco3)C2)on1
InChIInChI=1S/C19H27N3O3/c1-14(2)9-16-10-18(25-21-16)19(23)20-11-15-5-3-7-22(12-15)13-17-6-4-8-24-17/h4,6,8,10,14-15H,3,5,7,9,11-13H2,1-2H3,(H,20,23)
InChIKeyGYKVBTADYWOWMY-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.11
Rot. Bonds7

About N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 70719590) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID70719590
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC2CCCN(Cc3ccco3)C2)on1
InChIInChI=1S/C19H27N3O3/c1-14(2)9-16-10-18(25-21-16)19(23)20-11-15-5-3-7-22(12-15)13-17-6-4-8-24-17/h4,6,8,10,14-15H,3,5,7,9,11-13H2,1-2H3,(H,20,23)
InChIKeyGYKVBTADYWOWMY-UHFFFAOYSA-N
XLogP3.11
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 70719590) is N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCC2CCCN(Cc3ccco3)C2)on1.
What is the InChIKey of N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is GYKVBTADYWOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14(2)9-16-10-18(25-21-16)19(23)20-11-15-5-3-7-22(12-15)13-17-6-4-8-24-17/h4,6,8,10,14-15H,3,5,7,9,11-13H2,1-2H3,(H,20,23).
What are the key properties of N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(furan-2-ylmethyl)piperidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70719590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).