N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine

C14H12ClN3O2 — CID 110652412

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESClc1ccc(-c2nnc(CNCc3ccco3)o2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-5-3-10(4-6-11)14-18-17-13(20-14)9-16-8-12-2-1-7-19-12/h1-7,16H,8-9H2
InChIKeyWFDZOCHBWNNWQH-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.27
Rot. Bonds5

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine (PubChem CID 110652412) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
PubChem CID110652412
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine
SMILESClc1ccc(-c2nnc(CNCc3ccco3)o2)cc1
InChIInChI=1S/C14H12ClN3O2/c15-11-5-3-10(4-6-11)14-18-17-13(20-14)9-16-8-12-2-1-7-19-12/h1-7,16H,8-9H2
InChIKeyWFDZOCHBWNNWQH-UHFFFAOYSA-N
XLogP3.27
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine (CID 110652412) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine is Clc1ccc(-c2nnc(CNCc3ccco3)o2)cc1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
The InChIKey is WFDZOCHBWNNWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c15-11-5-3-10(4-6-11)14-18-17-13(20-14)9-16-8-12-2-1-7-19-12/h1-7,16H,8-9H2.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine has a molecular weight of 289.72 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 110652412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).