3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine

C7H7BrN4O — CID 130905396

IUPAC3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCn1ncc(-c2cc(N)on2)c1Br
InChIInChI=1S/C7H7BrN4O/c1-12-7(8)4(3-10-12)5-2-6(9)13-11-5/h2-3H,9H2,1H3
InChIKeyXSAIBAZJQZLOJZ-UHFFFAOYSA-N
MW243.06 g/mol
LogP1.42
Rot. Bonds1

About 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine

3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 130905396) has the molecular formula C7H7BrN4O and a molecular weight of 243.06 g/mol. Its IUPAC name is 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
PubChem CID130905396
Molecular FormulaC7H7BrN4O
Molecular Weight243.06 g/mol
Exact Mass241.98
IUPAC Name3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCn1ncc(-c2cc(N)on2)c1Br
InChIInChI=1S/C7H7BrN4O/c1-12-7(8)4(3-10-12)5-2-6(9)13-11-5/h2-3H,9H2,1H3
InChIKeyXSAIBAZJQZLOJZ-UHFFFAOYSA-N
XLogP1.42
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.06
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromo-1-methylpyrazol-4-yl)-1-methylpyrazol-5-amine
CID 127006262
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
5-(5-bromo-1-methylpyrazol-4-yl)-3-iodo-1,2,4-oxadiazole
CID 130685221
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(3-bromo-1-methylindazol-6-yl)-1,2-oxazol-5-amine
CID 117472955
5-(5-bromo-1-methylpyrazol-4-yl)-1,2,4-triazole-3,4-diamine
CID 130991652
5-chloro-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole
CID 80646470
4-(5-amino-1,2-oxazol-3-yl)benzene-1,3-diol
CID 137015302
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496000
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
3-(6-bromo-1,3-benzodioxol-4-yl)-1,2-oxazol-5-amine
CID 117454787
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine (CID 130905396) is 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine is Cn1ncc(-c2cc(N)on2)c1Br.
What is the InChIKey of 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is XSAIBAZJQZLOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O/c1-12-7(8)4(3-10-12)5-2-6(9)13-11-5/h2-3H,9H2,1H3.
What are the key properties of 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine?
3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 243.06 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-methylpyrazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 130905396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).