N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide

C19H27N3O3 — CID 75376162

IUPACN-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C19H27N3O3/c1-13(18-20-11-16(25-18)19(2,3)4)22-8-5-15(6-9-22)21-17(23)14-7-10-24-12-14/h7,10-13,15H,5-6,8-9H2,1-4H3,(H,21,23)
InChIKeyZCTORUFJTOPNKK-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.52
Rot. Bonds4

About N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide

N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide (PubChem CID 75376162) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide
PubChem CID75376162
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide
SMILESCC(c1ncc(C(C)(C)C)o1)N1CCC(NC(=O)c2ccoc2)CC1
InChIInChI=1S/C19H27N3O3/c1-13(18-20-11-16(25-18)19(2,3)4)22-8-5-15(6-9-22)21-17(23)14-7-10-24-12-14/h7,10-13,15H,5-6,8-9H2,1-4H3,(H,21,23)
InChIKeyZCTORUFJTOPNKK-UHFFFAOYSA-N
XLogP3.52
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide (CID 75376162) is N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide is CC(c1ncc(C(C)(C)C)o1)N1CCC(NC(=O)c2ccoc2)CC1.
What is the InChIKey of N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide?
The InChIKey is ZCTORUFJTOPNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(18-20-11-16(25-18)19(2,3)4)22-8-5-15(6-9-22)21-17(23)14-7-10-24-12-14/h7,10-13,15H,5-6,8-9H2,1-4H3,(H,21,23).
What are the key properties of N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide?
N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]piperidin-4-yl]furan-3-carboxamide is sourced from PubChem (CID 75376162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).