3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide

C15H18BrN3O2S — CID 3503612

IUPAC3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCSc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H18BrN3O2S/c1-3-19(4-2)13(20)8-9-22-15-18-17-14(21-15)11-6-5-7-12(16)10-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyKJBBOTPTKYSLND-UHFFFAOYSA-N
MW384.30 g/mol
LogP3.85
Rot. Bonds7

About 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide

3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide (PubChem CID 3503612) has the molecular formula C15H18BrN3O2S and a molecular weight of 384.30 g/mol. Its IUPAC name is 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
PubChem CID3503612
Molecular FormulaC15H18BrN3O2S
Molecular Weight384.30 g/mol
Exact Mass383.03
IUPAC Name3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCSc1nnc(-c2cccc(Br)c2)o1
InChIInChI=1S/C15H18BrN3O2S/c1-3-19(4-2)13(20)8-9-22-15-18-17-14(21-15)11-6-5-7-12(16)10-11/h5-7,10H,3-4,8-9H2,1-2H3
InChIKeyKJBBOTPTKYSLND-UHFFFAOYSA-N
XLogP3.85
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-[[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 4279921
2-[[2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide
CID 17440164
N,N-diethyl-3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3922572
3-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide
CID 3895358
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(2R)-pentan-2-yl]acetamide
CID 7594821
N,N-diethyl-2-[methyl-[2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]acetamide
CID 9345536
2-(3-bromophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CID 82488242
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 7594806
(2S)-2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7594847
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-N,N-diethylacetamide
CID 110414855
N-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-phenylsulfanylpropanamide
CID 43976222
2-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 7522613

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide?
The IUPAC name of 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide (CID 3503612) is 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCSc1nnc(-c2cccc(Br)c2)o1.
What is the InChIKey of 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide?
The InChIKey is KJBBOTPTKYSLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2S/c1-3-19(4-2)13(20)8-9-22-15-18-17-14(21-15)11-6-5-7-12(16)10-11/h5-7,10H,3-4,8-9H2,1-2H3.
What are the key properties of 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide?
3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide has a molecular weight of 384.30 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylpropanamide is sourced from PubChem (CID 3503612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).