4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine

C12H9BrN4O — CID 117490335

IUPAC4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C12H9BrN4O/c13-11-5-6-15-17(11)9-3-1-8(2-4-9)10-7-16-18-12(10)14/h1-7H,14H2
InChIKeyJZHAEYSTVDOGAN-UHFFFAOYSA-N
MW305.14 g/mol
LogP2.87
Rot. Bonds2

About 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine

4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117490335) has the molecular formula C12H9BrN4O and a molecular weight of 305.14 g/mol. Its IUPAC name is 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117490335
Molecular FormulaC12H9BrN4O
Molecular Weight305.14 g/mol
Exact Mass304.00
IUPAC Name4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine
SMILESNc1oncc1-c1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C12H9BrN4O/c13-11-5-6-15-17(11)9-3-1-8(2-4-9)10-7-16-18-12(10)14/h1-7H,14H2
InChIKeyJZHAEYSTVDOGAN-UHFFFAOYSA-N
XLogP2.87
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-1-(4-bromophenyl)pyrazole
CID 79020245
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-4-methylpiperazine-2,5-dione
CID 117461675
4-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-1-methylpiperazine-2,6-dione
CID 117461676
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
1-[4-(5-bromopyrazol-1-yl)phenyl]ethanamine
CID 117419109
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one
CID 117457742
5-bromo-1-(4-methoxyphenyl)pyrazole
CID 79020309
4-(3-bromo-4-imidazol-1-ylphenyl)-1,2-oxazol-5-amine
CID 117490337
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117383874
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
CID 117310978
2-[4-(5-bromopyrazol-1-yl)phenyl]-2-methylpropan-1-ol
CID 117475728
4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117336523

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine (CID 117490335) is 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine is Nc1oncc1-c1ccc(-n2nccc2Br)cc1.
What is the InChIKey of 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is JZHAEYSTVDOGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4O/c13-11-5-6-15-17(11)9-3-1-8(2-4-9)10-7-16-18-12(10)14/h1-7H,14H2.
What are the key properties of 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine?
4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 305.14 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-bromopyrazol-1-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117490335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).