1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine

C20H23N3O2 — CID 56682320

IUPAC1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3coc(-c4ccco4)n3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-5-16(6-3-1)14-23-10-8-17(9-11-23)21-13-18-15-25-20(22-18)19-7-4-12-24-19/h1-7,12,15,17,21H,8-11,13-14H2
InChIKeyGXPUGIINTPAUIU-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.69
Rot. Bonds6

About 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine

1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine (PubChem CID 56682320) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
PubChem CID56682320
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
SMILESc1ccc(CN2CCC(NCc3coc(-c4ccco4)n3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-2-5-16(6-3-1)14-23-10-8-17(9-11-23)21-13-18-15-25-20(22-18)19-7-4-12-24-19/h1-7,12,15,17,21H,8-11,13-14H2
InChIKeyGXPUGIINTPAUIU-UHFFFAOYSA-N
XLogP3.69
TPSA54.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[[2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 56662047
1-benzyl-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-3-amine
CID 56679054
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
N-(furan-2-ylmethyl)-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 24732692
1-benzyl-N-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl)piperidin-4-amine
CID 68673729
1-benzyl-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 4846950
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-[2-(furan-2-yl)quinolin-4-yl]acetamide
CID 139943198
1-benzyl-N-[(2-bromophenyl)methyl]piperidin-4-amine
CID 23738592
1-benzyl-N-[(4-phenylphenyl)methyl]piperidin-4-amine;dihydrochloride
CID 17159249
1-benzyl-N-[(5-chlorothiophen-2-yl)methyl]piperidin-4-amine
CID 29275585
3-[[(1-benzylpiperidin-4-yl)amino]methyl]-1H-quinolin-2-one
CID 119136081
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The IUPAC name of 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine (CID 56682320) is 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The canonical SMILES for 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine is c1ccc(CN2CCC(NCc3coc(-c4ccco4)n3)CC2)cc1.
What is the InChIKey of 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
The InChIKey is GXPUGIINTPAUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-5-16(6-3-1)14-23-10-8-17(9-11-23)21-13-18-15-25-20(22-18)19-7-4-12-24-19/h1-7,12,15,17,21H,8-11,13-14H2.
What are the key properties of 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine?
1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine has a molecular weight of 337.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[[2-(furan-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 56682320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).