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

C14H17BrN2O — CID 66199519

IUPAC4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCC(C)C(C)c1onc(N)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c1-8(2)9(3)13-12(14(16)17-18-13)10-4-6-11(15)7-5-10/h4-9H,1-3H3,(H2,16,17)
InChIKeyXERDNCGUMXURPM-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.45
Rot. Bonds3

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

4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine (PubChem CID 66199519) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
PubChem CID66199519
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
SMILESCC(C)C(C)c1onc(N)c1-c1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O/c1-8(2)9(3)13-12(14(16)17-18-13)10-4-6-11(15)7-5-10/h4-9H,1-3H3,(H2,16,17)
InChIKeyXERDNCGUMXURPM-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198552
5-(3-methylbutan-2-yl)-4-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66199484
5-(4-bromophenyl)-4-(4-methylphenyl)-1,2-oxazol-3-amine
CID 66199070
4-(4-bromophenyl)-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 66199515
4-(4-bromophenyl)-5-(2-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66200322
5-butan-2-yl-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198336
4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522867
4-(4-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
CID 43158073
5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
CID 66200306
4-(4-bromophenyl)-5-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198321
5-pentan-2-yl-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525035
4-(4-bromophenyl)-5-cyclohexyl-1,2-oxazol-3-amine
CID 66199516

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine (CID 66199519) is 4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine is CC(C)C(C)c1onc(N)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
The InChIKey is XERDNCGUMXURPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-8(2)9(3)13-12(14(16)17-18-13)10-4-6-11(15)7-5-10/h4-9H,1-3H3,(H2,16,17).
What are the key properties of 4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine has a molecular weight of 309.21 g/mol, XLogP of 4.45, 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-(3-methylbutan-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).