2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid

C10H10BrN3O3S — CID 43467199

IUPAC2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
SMILESCC(NCc1nnc(-c2ccc(Br)s2)o1)C(=O)O
InChIInChI=1S/C10H10BrN3O3S/c1-5(10(15)16)12-4-8-13-14-9(17-8)6-2-3-7(11)18-6/h2-3,5,12H,4H2,1H3,(H,15,16)
InChIKeyWAUUGVWSFWCEJP-UHFFFAOYSA-N
MW332.18 g/mol
LogP2.12
Rot. Bonds5

About 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid

2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid (PubChem CID 43467199) has the molecular formula C10H10BrN3O3S and a molecular weight of 332.18 g/mol. Its IUPAC name is 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
PubChem CID43467199
Molecular FormulaC10H10BrN3O3S
Molecular Weight332.18 g/mol
Exact Mass330.96
IUPAC Name2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
SMILESCC(NCc1nnc(-c2ccc(Br)s2)o1)C(=O)O
InChIInChI=1S/C10H10BrN3O3S/c1-5(10(15)16)12-4-8-13-14-9(17-8)6-2-3-7(11)18-6/h2-3,5,12H,4H2,1H3,(H,15,16)
InChIKeyWAUUGVWSFWCEJP-UHFFFAOYSA-N
XLogP2.12
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid with MolForge

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Related Compounds

N-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 60685576
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid
CID 43466953
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoic acid
CID 60988081
N-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62278238
N-[4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]acetamide
CID 9353822
4-O-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015521
3-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-2-methylpropan-1-amine
CID 66225672
[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-ethylbenzoate
CID 9230129
1-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785952
[4-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]-phenylmethanone
CID 38903601
ethyl 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methylamino]propanoate
CID 61499088
ethyl 5-(5-bromothiophen-2-yl)-1,3,4-oxadiazole-2-carboxylate
CID 112685416

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid?
The IUPAC name of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid (CID 43467199) is 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid.
What is the SMILES notation for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid?
The canonical SMILES for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid is CC(NCc1nnc(-c2ccc(Br)s2)o1)C(=O)O.
What is the InChIKey of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid?
The InChIKey is WAUUGVWSFWCEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O3S/c1-5(10(15)16)12-4-8-13-14-9(17-8)6-2-3-7(11)18-6/h2-3,5,12H,4H2,1H3,(H,15,16).
What are the key properties of 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid?
2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid has a molecular weight of 332.18 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methylamino]propanoic acid is sourced from PubChem (CID 43467199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).