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

C16H17N3O2 — CID 119123049

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESCc1noc(CCNCc2ccc(-c3ccccc3)o2)n1
InChIInChI=1S/C16H17N3O2/c1-12-18-16(21-19-12)9-10-17-11-14-7-8-15(20-14)13-5-3-2-4-6-13/h2-8,17H,9-11H2,1H3
InChIKeyDNKWFCMEVLFWDF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.97
Rot. Bonds6

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine (PubChem CID 119123049) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
PubChem CID119123049
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine
SMILESCc1noc(CCNCc2ccc(-c3ccccc3)o2)n1
InChIInChI=1S/C16H17N3O2/c1-12-18-16(21-19-12)9-10-17-11-14-7-8-15(20-14)13-5-3-2-4-6-13/h2-8,17H,9-11H2,1H3
InChIKeyDNKWFCMEVLFWDF-UHFFFAOYSA-N
XLogP2.97
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.97
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

N-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 119123052
N-[(5-bromofuran-2-yl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103527173
N-[(2-chlorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648016
2-(4-methoxyphenyl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine;hydrochloride
CID 17331908
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzoic acid
CID 106419648
5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 114186501
(2R)-1-[2-[(5-phenylfuran-2-yl)methylamino]ethylamino]propan-2-ol
CID 8622014
N',N'-dimethyl-N-[(5-phenylfuran-2-yl)methyl]ethane-1,2-diamine;hydrochloride
CID 171700325
[4-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]phenyl]methanol
CID 106416528
N-[(4-fluorophenyl)methyl]-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 103648024
(E)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylprop-2-en-1-amine
CID 103647920
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 103647951

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine (CID 119123049) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine is Cc1noc(CCNCc2ccc(-c3ccccc3)o2)n1.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
The InChIKey is DNKWFCMEVLFWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-18-16(21-19-12)9-10-17-11-14-7-8-15(20-14)13-5-3-2-4-6-13/h2-8,17H,9-11H2,1H3.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine?
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine has a molecular weight of 283.33 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-phenylfuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 119123049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).