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

C12H12BrFN2O — CID 107954850

IUPAC5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cccc(Br)c1F
InChIInChI=1S/C12H12BrFN2O/c1-2-4-8-11(17-16-12(8)15)7-5-3-6-9(13)10(7)14/h3,5-6H,2,4H2,1H3,(H2,15,16)
InChIKeyCZPYUQWGVDNMRO-UHFFFAOYSA-N
MW299.14 g/mol
LogP3.78
Rot. Bonds3

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

5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 107954850) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID107954850
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cccc(Br)c1F
InChIInChI=1S/C12H12BrFN2O/c1-2-4-8-11(17-16-12(8)15)7-5-3-6-9(13)10(7)14/h3,5-6H,2,4H2,1H3,(H2,15,16)
InChIKeyCZPYUQWGVDNMRO-UHFFFAOYSA-N
XLogP3.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 81117241
5-(3-chloro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 107101289
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412173
5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411623
5-(3-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 107954870
5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690685
5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113296257
5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411476
4-(2-bromophenyl)-5-(2,3-difluorophenyl)-1,2-oxazol-3-amine
CID 66203992
5-(3-fluoro-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 113396074
2-(3-bromo-2-fluorophenyl)-5-propyl-1,3,4-oxadiazole
CID 107951358

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine (CID 107954850) is 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cccc(Br)c1F.
What is the InChIKey of 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is CZPYUQWGVDNMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-2-4-8-11(17-16-12(8)15)7-5-3-6-9(13)10(7)14/h3,5-6H,2,4H2,1H3,(H2,15,16).
What are the key properties of 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine?
5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 299.14 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 107954850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).