1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

C13H15BrClN3O — CID 107993123

IUPAC1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2ccc(Cl)c(Br)c2)o1
InChIInChI=1S/C13H15BrClN3O/c1-3-11(16-4-2)13-18-17-12(19-13)8-5-6-10(15)9(14)7-8/h5-7,11,16H,3-4H2,1-2H3
InChIKeyIFRVOCJFEMSCAY-UHFFFAOYSA-N
MW344.64 g/mol
LogP4.21
Rot. Bonds5

About 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine

1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (PubChem CID 107993123) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
PubChem CID107993123
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1nnc(-c2ccc(Cl)c(Br)c2)o1
InChIInChI=1S/C13H15BrClN3O/c1-3-11(16-4-2)13-18-17-12(19-13)8-5-6-10(15)9(14)7-8/h5-7,11,16H,3-4H2,1-2H3
InChIKeyIFRVOCJFEMSCAY-UHFFFAOYSA-N
XLogP4.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55124542
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 63195353
1-[5-(3-chloro-4-iodophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 103212040
1-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62857282
4-[5-[1-(ethylamino)propyl]-1,3,4-oxadiazol-2-yl]-1H-pyridin-2-one
CID 114039886
N-ethyl-1-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)propan-1-amine
CID 62858258
N-ethyl-1-[5-(5-methylfuran-3-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 114822856
1-[5-(3-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 63799994
1-[5-(3-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 80640946
1-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 62857111
1-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 62857467
1-[5-(3-chloro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 63195183

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine (CID 107993123) is 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is CCNC(CC)c1nnc(-c2ccc(Cl)c(Br)c2)o1.
What is the InChIKey of 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
The InChIKey is IFRVOCJFEMSCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c1-3-11(16-4-2)13-18-17-12(19-13)8-5-6-10(15)9(14)7-8/h5-7,11,16H,3-4H2,1-2H3.
What are the key properties of 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine?
1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine has a molecular weight of 344.64 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 107993123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).