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

C14H16BrN3O2S — CID 1202442

IUPAC2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H16BrN3O2S/c1-3-18(4-2)12(19)9-21-14-17-16-13(20-14)10-5-7-11(15)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyKOPXSRTYQHAWIS-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.46
Rot. Bonds6

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

2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (PubChem CID 1202442) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
PubChem CID1202442
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1nnc(-c2ccc(Br)cc2)o1
InChIInChI=1S/C14H16BrN3O2S/c1-3-18(4-2)12(19)9-21-14-17-16-13(20-14)10-5-7-11(15)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKeyKOPXSRTYQHAWIS-UHFFFAOYSA-N
XLogP3.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The IUPAC name of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide (CID 1202442) is 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The canonical SMILES for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is CCN(CC)C(=O)CSc1nnc(-c2ccc(Br)cc2)o1.
What is the InChIKey of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
The InChIKey is KOPXSRTYQHAWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-3-18(4-2)12(19)9-21-14-17-16-13(20-14)10-5-7-11(15)8-6-10/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide?
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide has a molecular weight of 370.27 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-diethylacetamide is sourced from PubChem (CID 1202442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).