[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate

C13H10BrN3O4S — CID 29379767

IUPAC[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)OCc2nnc(-c3ccc(Br)o3)o2)cs1
InChIInChI=1S/C13H10BrN3O4S/c1-7-15-8(6-22-7)4-12(18)19-5-11-16-17-13(21-11)9-2-3-10(14)20-9/h2-3,6H,4-5H2,1H3
InChIKeyVZIVXZYEQHYRIT-UHFFFAOYSA-N
MW384.21 g/mol
LogP3.14
Rot. Bonds5

About [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate

[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate (PubChem CID 29379767) has the molecular formula C13H10BrN3O4S and a molecular weight of 384.21 g/mol. Its IUPAC name is [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate.

Molecular Properties

Compound Name[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
PubChem CID29379767
Molecular FormulaC13H10BrN3O4S
Molecular Weight384.21 g/mol
Exact Mass382.96
IUPAC Name[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
SMILESCc1nc(CC(=O)OCc2nnc(-c3ccc(Br)o3)o2)cs1
InChIInChI=1S/C13H10BrN3O4S/c1-7-15-8(6-22-7)4-12(18)19-5-11-16-17-13(21-11)9-2-3-10(14)20-9/h2-3,6H,4-5H2,1H3
InChIKeyVZIVXZYEQHYRIT-UHFFFAOYSA-N
XLogP3.14
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(4-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55328053
ethyl 4-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 112787993
(3-methylphenyl)methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55327909
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 8731970
[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl (E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoate
CID 16604534
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate
CID 16543489
[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate
CID 55529702
methyl 3-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]oxymethyl]furan-2-carboxylate
CID 55459201
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 55477152
4-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929249
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate
CID 16607109
ethyl 2-[2-[[2-[[5-(5-bromofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 19724560

Frequently Asked Questions

What is the IUPAC name of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The IUPAC name of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate (CID 29379767) is [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate.
What is the SMILES notation for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The canonical SMILES for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate is Cc1nc(CC(=O)OCc2nnc(-c3ccc(Br)o3)o2)cs1.
What is the InChIKey of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
The InChIKey is VZIVXZYEQHYRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O4S/c1-7-15-8(6-22-7)4-12(18)19-5-11-16-17-13(21-11)9-2-3-10(14)20-9/h2-3,6H,4-5H2,1H3.
What are the key properties of [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate?
[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate has a molecular weight of 384.21 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(2-methyl-1,3-thiazol-4-yl)acetate is sourced from PubChem (CID 29379767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).