(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate

C9H7BrN2O3S — CID 18085468

IUPAC(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate
SMILESCc1nnc(COC(=O)c2ccc(Br)s2)o1
InChIInChI=1S/C9H7BrN2O3S/c1-5-11-12-8(15-5)4-14-9(13)6-2-3-7(10)16-6/h2-3H,4H2,1H3
InChIKeyJOZGDZIDMXJYKD-UHFFFAOYSA-N
MW303.14 g/mol
LogP2.56
Rot. Bonds3

About (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate

(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate (PubChem CID 18085468) has the molecular formula C9H7BrN2O3S and a molecular weight of 303.14 g/mol. Its IUPAC name is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate
PubChem CID18085468
Molecular FormulaC9H7BrN2O3S
Molecular Weight303.14 g/mol
Exact Mass301.94
IUPAC Name(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate
SMILESCc1nnc(COC(=O)c2ccc(Br)s2)o1
InChIInChI=1S/C9H7BrN2O3S/c1-5-11-12-8(15-5)4-14-9(13)6-2-3-7(10)16-6/h2-3H,4H2,1H3
InChIKeyJOZGDZIDMXJYKD-UHFFFAOYSA-N
XLogP2.56
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-ethylbenzoate
CID 9230129
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 1,3-benzodioxole-5-carboxylate
CID 18085406
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,5-ditert-butyl-4-hydroxybenzoate
CID 71905182
but-2-ynyl 5-bromothiophene-2-carboxylate
CID 130718812
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3,6-dichloro-1-benzothiophene-2-carboxylate
CID 8761668
4-O-[[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl] 1-O-ethyl (E)-but-2-enedioate
CID 9015521
methyl 3-[(5-bromothiophene-2-carbonyl)oxymethyl]furan-2-carboxylate
CID 18122133
[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl 5-nitrothiophene-2-carboxylate
CID 2613317
[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-acetyl-1H-pyrrole-2-carboxylate
CID 9386459
prop-2-ynyl 5-bromothiophene-2-carboxylate
CID 14126968
[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 6-chloropyridine-3-carboxylate
CID 9201725
[5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 4-ethoxybenzoate
CID 9197367

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate?
The IUPAC name of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate (CID 18085468) is (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate.
What is the SMILES notation for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate?
The canonical SMILES for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate is Cc1nnc(COC(=O)c2ccc(Br)s2)o1.
What is the InChIKey of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate?
The InChIKey is JOZGDZIDMXJYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S/c1-5-11-12-8(15-5)4-14-9(13)6-2-3-7(10)16-6/h2-3H,4H2,1H3.
What are the key properties of (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate?
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate has a molecular weight of 303.14 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,3,4-oxadiazol-2-yl)methyl 5-bromothiophene-2-carboxylate is sourced from PubChem (CID 18085468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).