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

C13H15BrN2O2 — CID 113296257

IUPAC5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(Br)cc1OC
InChIInChI=1S/C13H15BrN2O2/c1-3-4-10-12(18-16-13(10)15)9-6-5-8(14)7-11(9)17-2/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyPSLXEENATAJTPW-UHFFFAOYSA-N
MW311.18 g/mol
LogP3.65
Rot. Bonds4

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

5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 113296257) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID113296257
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1ccc(Br)cc1OC
InChIInChI=1S/C13H15BrN2O2/c1-3-4-10-12(18-16-13(10)15)9-6-5-8(14)7-11(9)17-2/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyPSLXEENATAJTPW-UHFFFAOYSA-N
XLogP3.65
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
5-(4-bromophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411623
5-(4-bromo-2-methoxyphenyl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 115370350
5-(3-methoxy-4-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79413104
5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 81117241
5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 115370348
5-(2-fluoro-6-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411476
5-(3-bromo-2-fluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 107954850
5-(2,5-difluorophenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411963
5-(2-chlorofuran-3-yl)-4-propyl-1,2-oxazol-3-amine
CID 106690685
3-(5-bromo-2-methoxyphenyl)-5-propyl-1,2-oxazole
CID 152764725
5-(5-fluoro-2-methylphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79412173

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine (CID 113296257) is 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1ccc(Br)cc1OC.
What is the InChIKey of 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is PSLXEENATAJTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-3-4-10-12(18-16-13(10)15)9-6-5-8(14)7-11(9)17-2/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 311.18 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 113296257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).