2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide

C9H8BrN3O2S — CID 71919450

IUPAC2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(-c2sccc2Br)n1
InChIInChI=1S/C9H8BrN3O2S/c1-11-7(14)4-6-12-9(15-13-6)8-5(10)2-3-16-8/h2-3H,4H2,1H3,(H,11,14)
InChIKeyNMVQMXRRKKRRIC-UHFFFAOYSA-N
MW302.15 g/mol
LogP1.85
Rot. Bonds3

About 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide

2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide (PubChem CID 71919450) has the molecular formula C9H8BrN3O2S and a molecular weight of 302.15 g/mol. Its IUPAC name is 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
PubChem CID71919450
Molecular FormulaC9H8BrN3O2S
Molecular Weight302.15 g/mol
Exact Mass300.95
IUPAC Name2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
SMILESCNC(=O)Cc1noc(-c2sccc2Br)n1
InChIInChI=1S/C9H8BrN3O2S/c1-11-7(14)4-6-12-9(15-13-6)8-5(10)2-3-16-8/h2-3H,4H2,1H3,(H,11,14)
InChIKeyNMVQMXRRKKRRIC-UHFFFAOYSA-N
XLogP1.85
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 63796484
N-methyl-2-[5-(3-methylfuran-2-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 71970429
N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 71852002
2-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 75505999
2-[5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 119050714
1-[5-(3-iodothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 130575910
2-[5-(2-butan-2-yloxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 84596661
N-methyl-2-[5-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 97092652
N-methyl-2-[5-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 97092651
2-[5-[2-(furan-2-yl)cyclopropyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970461
3-(azepan-2-yl)-5-(3-bromothiophen-2-yl)-1,2,4-oxadiazole
CID 103972221
3-(2-anilino-2-oxoethyl)-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 39339684

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide (CID 71919450) is 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide is CNC(=O)Cc1noc(-c2sccc2Br)n1.
What is the InChIKey of 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
The InChIKey is NMVQMXRRKKRRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2S/c1-11-7(14)4-6-12-9(15-13-6)8-5(10)2-3-16-8/h2-3H,4H2,1H3,(H,11,14).
What are the key properties of 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide?
2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide has a molecular weight of 302.15 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-bromothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 71919450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).