2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole

C7H6BrN3O2 — CID 114771301

IUPAC2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(C)c(-c2nnc(Br)o2)o1
InChIInChI=1S/C7H6BrN3O2/c1-3-5(12-4(2)9-3)6-10-11-7(8)13-6/h1-2H3
InChIKeyKPGRLHUOYGBQAL-UHFFFAOYSA-N
MW244.05 g/mol
LogP2.10
Rot. Bonds1

About 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole

2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole (PubChem CID 114771301) has the molecular formula C7H6BrN3O2 and a molecular weight of 244.05 g/mol. Its IUPAC name is 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole
PubChem CID114771301
Molecular FormulaC7H6BrN3O2
Molecular Weight244.05 g/mol
Exact Mass242.96
IUPAC Name2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole
SMILESCc1nc(C)c(-c2nnc(Br)o2)o1
InChIInChI=1S/C7H6BrN3O2/c1-3-5(12-4(2)9-3)6-10-11-7(8)13-6/h1-2H3
InChIKeyKPGRLHUOYGBQAL-UHFFFAOYSA-N
XLogP2.10
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 114771182
2-(2,4-dimethyl-1,3-oxazol-5-yl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 154807280
2,4-dimethyl-5-(4-methyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 115395448
2,4-dimethyl-5-(2-methylphenyl)-1,3-oxazole
CID 82125407
4-tert-butyl-2-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3-oxazole-5-carboxylic acid
CID 114372712
2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
CID 114771109
2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 130551272
5-(3,4-dimethoxyphenyl)-2,4-dimethyl-1,3-oxazole
CID 13268420
2-bromo-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 70874023
2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
CID 106856548
5-[5-[7-[5-(2,4-dimethyl-1,3-oxazol-5-yl)-3-pyridinyl]pyren-2-yl]-3-pyridinyl]-2,4-dimethyl-1,3-oxazole
CID 163759965
methyl 2-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylate
CID 114371640

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole (CID 114771301) is 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole is Cc1nc(C)c(-c2nnc(Br)o2)o1.
What is the InChIKey of 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole?
The InChIKey is KPGRLHUOYGBQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrN3O2/c1-3-5(12-4(2)9-3)6-10-11-7(8)13-6/h1-2H3.
What are the key properties of 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole?
2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole has a molecular weight of 244.05 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).