trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine

C19H21N3O2 — CID 99796112

IUPACtrans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine
SMILESc1ccc(C[C@@H]2CCC[C@@H]2NCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-6-14(7-3-1)12-15-8-4-9-16(15)20-13-18-21-22-19(24-18)17-10-5-11-23-17/h1-3,5-7,10-11,15-16,20H,4,8-9,12-13H2/t15-,16-/m0/s1
InChIKeyIEEZYUITRLTGHI-HOTGVXAUSA-N
MW323.40 g/mol
LogP3.83
Rot. Bonds6

About trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine

trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine (PubChem CID 99796112) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine
PubChem CID99796112
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Nametrans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine
SMILESc1ccc(C[C@@H]2CCC[C@@H]2NCc2nnc(-c3ccco3)o2)cc1
InChIInChI=1S/C19H21N3O2/c1-2-6-14(7-3-1)12-15-8-4-9-16(15)20-13-18-21-22-19(24-18)17-10-5-11-23-17/h1-3,5-7,10-11,15-16,20H,4,8-9,12-13H2/t15-,16-/m0/s1
InChIKeyIEEZYUITRLTGHI-HOTGVXAUSA-N
XLogP3.83
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine?
The IUPAC name of trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine (CID 99796112) is trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine is c1ccc(C[C@@H]2CCC[C@@H]2NCc2nnc(-c3ccco3)o2)cc1.
What is the InChIKey of trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine?
The InChIKey is IEEZYUITRLTGHI-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-6-14(7-3-1)12-15-8-4-9-16(15)20-13-18-21-22-19(24-18)17-10-5-11-23-17/h1-3,5-7,10-11,15-16,20H,4,8-9,12-13H2/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine?
trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine has a molecular weight of 323.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-benzyl-N-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 99796112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).