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

C12H13BrN2O — CID 79411623

IUPAC5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O/c1-2-3-10-11(16-15-12(10)14)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15)
InChIKeyGSFIIQRJCUECOF-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.64
Rot. Bonds3

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

5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 79411623) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID79411623
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(Br)cc1
InChIInChI=1S/C12H13BrN2O/c1-2-3-10-11(16-15-12(10)14)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15)
InChIKeyGSFIIQRJCUECOF-UHFFFAOYSA-N
XLogP3.64
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine (CID 79411623) is 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is GSFIIQRJCUECOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-2-3-10-11(16-15-12(10)14)8-4-6-9(13)7-5-8/h4-7H,2-3H2,1H3,(H2,14,15).
What are the key properties of 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine?
5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 281.15 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 79411623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).