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

C14H17BrN2O — CID 43560872

IUPAC4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
SMILESCC(C)CCc1noc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O/c1-9(2)6-7-12-13(14(16)18-17-12)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3
InChIKeyOIKIEHRVIJTYLS-UHFFFAOYSA-N
MW309.21 g/mol
LogP4.27
Rot. Bonds4

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

4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine (PubChem CID 43560872) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
PubChem CID43560872
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine
SMILESCC(C)CCc1noc(N)c1-c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O/c1-9(2)6-7-12-13(14(16)18-17-12)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3
InChIKeyOIKIEHRVIJTYLS-UHFFFAOYSA-N
XLogP4.27
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine (CID 43560872) is 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine is CC(C)CCc1noc(N)c1-c1cccc(Br)c1.
What is the InChIKey of 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine?
The InChIKey is OIKIEHRVIJTYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-9(2)6-7-12-13(14(16)18-17-12)10-4-3-5-11(15)8-10/h3-5,8-9H,6-7,16H2,1-2H3.
What are the key properties of 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine?
4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine has a molecular weight of 309.21 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-3-(3-methylbutyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43560872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).