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

C16H16ClN3O2 — CID 119123052

IUPACN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(CCNCc2ccc(-c3ccccc3Cl)o2)n1
InChIInChI=1S/C16H16ClN3O2/c1-11-19-16(22-20-11)8-9-18-10-12-6-7-15(21-12)13-4-2-3-5-14(13)17/h2-7,18H,8-10H2,1H3
InChIKeyIPDBUIXRWDGLOF-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.62
Rot. Bonds6

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

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 119123052) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID119123052
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCc1noc(CCNCc2ccc(-c3ccccc3Cl)o2)n1
InChIInChI=1S/C16H16ClN3O2/c1-11-19-16(22-20-11)8-9-18-10-12-6-7-15(21-12)13-4-2-3-5-14(13)17/h2-7,18H,8-10H2,1H3
InChIKeyIPDBUIXRWDGLOF-UHFFFAOYSA-N
XLogP3.62
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
CID 119123049
N-[(2-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648016
N-[(5-bromofuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103527173
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(4-fluorophenyl)ethanamine;hydrochloride
CID 17056556
2-[2-[[5-(2-chlorophenyl)furan-2-yl]methylamino]ethylamino]ethanol;dihydrochloride
CID 17056570
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(cyclohexen-1-yl)ethanamine
CID 17210309
1-[5-(2-chlorophenyl)furan-2-yl]-N-methylmethanamine;hydrochloride
CID 6473590
N-[(2,5-dichlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103845009
3-butoxy-N-[[5-(2-chlorophenyl)furan-2-yl]methyl]propan-1-amine
CID 17207893
N-[[5-(3-chloro-2-methylphenyl)furan-2-yl]methyl]propan-1-amine
CID 4725309
N-[[5-(2,4-dichlorophenyl)furan-2-yl]methyl]-2-(2-fluorophenyl)ethanamine
CID 4724330

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 119123052) is N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is Cc1noc(CCNCc2ccc(-c3ccccc3Cl)o2)n1.
What is the InChIKey of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is IPDBUIXRWDGLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11-19-16(22-20-11)8-9-18-10-12-6-7-15(21-12)13-4-2-3-5-14(13)17/h2-7,18H,8-10H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine?
N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 317.78 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 119123052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).