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

C14H17BrN2O — CID 66200322

IUPAC4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCCC(C)(C)c1onc(N)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c1-4-14(2,3)12-11(13(16)17-18-12)9-5-7-10(15)8-6-9/h5-8H,4H2,1-3H3,(H2,16,17)
InChIKeyKLVQBFQVMVYMKL-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.37
Rot. Bonds3

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

4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine (PubChem CID 66200322) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
PubChem CID66200322
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCCC(C)(C)c1onc(N)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c1-4-14(2,3)12-11(13(16)17-18-12)9-5-7-10(15)8-6-9/h5-8H,4H2,1-3H3,(H2,16,17)
InChIKeyKLVQBFQVMVYMKL-UHFFFAOYSA-N
XLogP4.37
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine (CID 66200322) is 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine is CCC(C)(C)c1onc(N)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine?
The InChIKey is KLVQBFQVMVYMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-4-14(2,3)12-11(13(16)17-18-12)9-5-7-10(15)8-6-9/h5-8H,4H2,1-3H3,(H2,16,17).
What are the key properties of 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine has a molecular weight of 309.21 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).