N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

C26H25N3O4 — CID 53103370

IUPACN-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)NCc1ccco1
InChIInChI=1S/C26H25N3O4/c30-24(27-17-21-7-4-14-32-21)15-18-10-12-29(13-11-18)26(31)20-8-9-23-22(16-20)28-25(33-23)19-5-2-1-3-6-19/h1-9,14,16,18H,10-13,15,17H2,(H,27,30)
InChIKeyUBEWDDAXEIZOFZ-UHFFFAOYSA-N
MW443.50 g/mol
LogP4.65
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide

N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide (PubChem CID 53103370) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
PubChem CID53103370
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
SMILESO=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)NCc1ccco1
InChIInChI=1S/C26H25N3O4/c30-24(27-17-21-7-4-14-32-21)15-18-10-12-29(13-11-18)26(31)20-8-9-23-22(16-20)28-25(33-23)19-5-2-1-3-6-19/h1-9,14,16,18H,10-13,15,17H2,(H,27,30)
InChIKeyUBEWDDAXEIZOFZ-UHFFFAOYSA-N
XLogP4.65
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 20971769
N-[(4-chlorophenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103367
N-[(5-methylfuran-2-yl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]acetamide
CID 53103553
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103374
N-cycloheptyl-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103368
2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 53103561
N-(2-morpholin-4-ylethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103391
N-[1-(furan-2-yl)propan-2-yl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 46378843
N-(3-morpholin-4-ylpropyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide
CID 53103378
2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 53103375
N-[(2-methylphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 20971770
2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]-N-(3-phenylpropyl)acetamide
CID 53103530

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide (CID 53103370) is N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide is O=C(CC1CCN(C(=O)c2ccc3oc(-c4ccccc4)nc3c2)CC1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
The InChIKey is UBEWDDAXEIZOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c30-24(27-17-21-7-4-14-32-21)15-18-10-12-29(13-11-18)26(31)20-8-9-23-22(16-20)28-25(33-23)19-5-2-1-3-6-19/h1-9,14,16,18H,10-13,15,17H2,(H,27,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide?
N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[1-(2-phenyl-1,3-benzoxazole-5-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 53103370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).