N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine

C15H14BrN3O2 — CID 106855933

IUPACN-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C15H14BrN3O2/c1-2-17-12(10-6-4-3-5-7-10)15-19-18-14(21-15)11-8-9-20-13(11)16/h3-9,12,17H,2H2,1H3
InChIKeyBCIQTEJNAOGTIF-UHFFFAOYSA-N
MW348.20 g/mol
LogP3.79
Rot. Bonds5

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

N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine (PubChem CID 106855933) has the molecular formula C15H14BrN3O2 and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
PubChem CID106855933
Molecular FormulaC15H14BrN3O2
Molecular Weight348.20 g/mol
Exact Mass347.03
IUPAC NameN-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
SMILESCCNC(c1ccccc1)c1nnc(-c2ccoc2Br)o1
InChIInChI=1S/C15H14BrN3O2/c1-2-17-12(10-6-4-3-5-7-10)15-19-18-14(21-15)11-8-9-20-13(11)16/h3-9,12,17H,2H2,1H3
InChIKeyBCIQTEJNAOGTIF-UHFFFAOYSA-N
XLogP3.79
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-methylthiophen-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 79808204
N-[[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 114822846
N-[phenyl-[5-(1H-pyrazol-5-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 63079825
1-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-1-phenylmethanamine
CID 62164944
1-[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 106855921
4-bromo-N-[(R)-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-methylaniline
CID 41123778
N-[[5-(oxan-4-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62907458
N-benzhydrylethanamine;ethane
CID 142974710
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 107183233
N-[[5-(oxan-2-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine
CID 62213931
N-[(S)-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-4-propan-2-ylaniline
CID 41173442
2-(2-fluorophenyl)-5-(1-phenylpropyl)-1,3,4-oxadiazole
CID 43913128

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The IUPAC name of N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine (CID 106855933) is N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine.
What is the SMILES notation for N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The canonical SMILES for N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine is CCNC(c1ccccc1)c1nnc(-c2ccoc2Br)o1.
What is the InChIKey of N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
The InChIKey is BCIQTEJNAOGTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2/c1-2-17-12(10-6-4-3-5-7-10)15-19-18-14(21-15)11-8-9-20-13(11)16/h3-9,12,17H,2H2,1H3.
What are the key properties of N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine?
N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine has a molecular weight of 348.20 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromofuran-3-yl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]ethanamine is sourced from PubChem (CID 106855933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).