4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine

C14H13BrN4O — CID 102801823

IUPAC4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCc1nn(C)cc1-c1noc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C14H13BrN4O/c1-8-11(7-19(2)17-8)13-12(14(16)20-18-13)9-4-3-5-10(15)6-9/h3-7H,16H2,1-2H3
InChIKeyXAHUJUNCLZHTLX-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.40
Rot. Bonds2

About 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine

4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 102801823) has the molecular formula C14H13BrN4O and a molecular weight of 333.19 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
PubChem CID102801823
Molecular FormulaC14H13BrN4O
Molecular Weight333.19 g/mol
Exact Mass332.03
IUPAC Name4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine
SMILESCc1nn(C)cc1-c1noc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C14H13BrN4O/c1-8-11(7-19(2)17-8)13-12(14(16)20-18-13)9-4-3-5-10(15)6-9/h3-7H,16H2,1-2H3
InChIKeyXAHUJUNCLZHTLX-UHFFFAOYSA-N
XLogP3.40
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 102801816
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-bromophenyl)-3-(2,5-dichlorophenyl)-1,2-oxazol-5-amine
CID 43560931
4-(3-bromophenyl)-3-(5-chloro-2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560930
4-(3-bromophenyl)-3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 43560893
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
CID 106687975
3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
CID 107982866
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine
CID 43560884
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine (CID 102801823) is 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine is Cc1nn(C)cc1-c1noc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is XAHUJUNCLZHTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4O/c1-8-11(7-19(2)17-8)13-12(14(16)20-18-13)9-4-3-5-10(15)6-9/h3-7H,16H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 333.19 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(1,3-dimethylpyrazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 102801823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).