3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole

C8H7Br2N3O — CID 114692779

IUPAC3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2nc(Br)cc2Br)no1
InChIInChI=1S/C8H7Br2N3O/c1-5-2-6(12-14-5)4-13-8(10)3-7(9)11-13/h2-3H,4H2,1H3
InChIKeyZJHPFIZLDQDMAW-UHFFFAOYSA-N
MW320.97 g/mol
LogP2.75
Rot. Bonds2

About 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole

3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole (PubChem CID 114692779) has the molecular formula C8H7Br2N3O and a molecular weight of 320.97 g/mol. Its IUPAC name is 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
PubChem CID114692779
Molecular FormulaC8H7Br2N3O
Molecular Weight320.97 g/mol
Exact Mass318.90
IUPAC Name3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole
SMILESCc1cc(Cn2nc(Br)cc2Br)no1
InChIInChI=1S/C8H7Br2N3O/c1-5-2-6(12-14-5)4-13-8(10)3-7(9)11-13/h2-3H,4H2,1H3
InChIKeyZJHPFIZLDQDMAW-UHFFFAOYSA-N
XLogP2.75
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.97
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrazol-4-amine
CID 118678409
5-bromo-6-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidin-4-one
CID 66310447
3-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,3,4-thiadiazol-2-one
CID 130610500
1-[(5-methyl-1,2-oxazol-3-yl)methyl]azetidin-3-amine
CID 65250257
5-bromo-4-methoxy-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 84593353
3-bromo-1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridin-2-one
CID 114760853
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propan-2-yltriazol-4-amine
CID 79542929
CID 89270748
CID 89270748
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
CID 79542851
3-[(3,5-dimethylpiperazin-1-yl)methyl]-5-methyl-1,2-oxazole
CID 63872193
ethyl-dimethyl-[(5-methyl-1,2-oxazol-3-yl)methyl]azanium
CID 91095029
(1S)-1-[3-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazol-4-yl]ethanamine
CID 104942425

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole (CID 114692779) is 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole is Cc1cc(Cn2nc(Br)cc2Br)no1.
What is the InChIKey of 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
The InChIKey is ZJHPFIZLDQDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2N3O/c1-5-2-6(12-14-5)4-13-8(10)3-7(9)11-13/h2-3H,4H2,1H3.
What are the key properties of 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole?
3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole has a molecular weight of 320.97 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dibromopyrazol-1-yl)methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 114692779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).