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

C16H17N3O2 — CID 104847409

IUPAC2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)c1nc(-c2ccco2)no1
InChIInChI=1S/C16H17N3O2/c1-11(14(17-2)12-7-4-3-5-8-12)16-18-15(19-21-16)13-9-6-10-20-13/h3-11,14,17H,1-2H3
InChIKeyLOLMYZXHQSPFHL-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.39
Rot. Bonds5

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

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine (PubChem CID 104847409) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine
PubChem CID104847409
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)c1nc(-c2ccco2)no1
InChIInChI=1S/C16H17N3O2/c1-11(14(17-2)12-7-4-3-5-8-12)16-18-15(19-21-16)13-9-6-10-20-13/h3-11,14,17H,1-2H3
InChIKeyLOLMYZXHQSPFHL-UHFFFAOYSA-N
XLogP3.39
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62716801
5-(1-bromopropyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 62854734
(1R)-1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 94549401
(1S)-N,2-dimethyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 59361184
5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 42955614
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-1-ol
CID 104847315
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83273049
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylmethoxyacetamide
CID 83272633
2-(furan-2-yl)-5-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 42886296
N-methyl-1-phenyl-2-pyridin-4-ylpropan-1-amine
CID 66446573
2-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-ol
CID 104847382
1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 63352296

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine?
The IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine (CID 104847409) is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine.
What is the SMILES notation for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine?
The canonical SMILES for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)c1nc(-c2ccco2)no1.
What is the InChIKey of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine?
The InChIKey is LOLMYZXHQSPFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11(14(17-2)12-7-4-3-5-8-12)16-18-15(19-21-16)13-9-6-10-20-13/h3-11,14,17H,1-2H3.
What are the key properties of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine?
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine has a molecular weight of 283.33 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylpropan-1-amine is sourced from PubChem (CID 104847409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).