N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide

C18H25N3O3 — CID 45176365

IUPACN-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1Cc1nc(-c2ccoc2)oc1C
InChIInChI=1S/C18H25N3O3/c1-13-17(20-18(24-13)15-7-10-23-12-15)11-21-9-4-3-5-16(21)6-8-19-14(2)22/h7,10,12,16H,3-6,8-9,11H2,1-2H3,(H,19,22)
InChIKeyPXEVZBZRAGHCLY-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.12
Rot. Bonds6

About N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide

N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 45176365) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
PubChem CID45176365
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1Cc1nc(-c2ccoc2)oc1C
InChIInChI=1S/C18H25N3O3/c1-13-17(20-18(24-13)15-7-10-23-12-15)11-21-9-4-3-5-16(21)6-8-19-14(2)22/h7,10,12,16H,3-6,8-9,11H2,1-2H3,(H,19,22)
InChIKeyPXEVZBZRAGHCLY-UHFFFAOYSA-N
XLogP3.12
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide (CID 45176365) is N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1Cc1nc(-c2ccoc2)oc1C.
What is the InChIKey of N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is PXEVZBZRAGHCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-17(20-18(24-13)15-7-10-23-12-15)11-21-9-4-3-5-16(21)6-8-19-14(2)22/h7,10,12,16H,3-6,8-9,11H2,1-2H3,(H,19,22).
What are the key properties of N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-(furan-3-yl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 45176365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).