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

C13H15BrN2O — CID 81117241

IUPAC5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-4-9-12(17-16-13(9)15)10-7-8(2)5-6-11(10)14/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyKHKWVNFJELATKG-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.95
Rot. Bonds3

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

5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine (PubChem CID 81117241) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
PubChem CID81117241
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine
SMILESCCCc1c(N)noc1-c1cc(C)ccc1Br
InChIInChI=1S/C13H15BrN2O/c1-3-4-9-12(17-16-13(9)15)10-7-8(2)5-6-11(10)14/h5-7H,3-4H2,1-2H3,(H2,15,16)
InChIKeyKHKWVNFJELATKG-UHFFFAOYSA-N
XLogP3.95
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Bromo-1,2-benzoxazol-3-amine
CID 45588471
4-Bromo-5-phenyl-1,2-oxazol-3-amine
CID 12371364
4-(4-Bromophenyl)-1,2-oxazol-3-amine
CID 972420
6-Bromo-1,2-benzoxazol-3-amine
CID 10608621
5-(4-Bromophenyl)isoxazol-3-amine
CID 16218187
5-(2-Fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199795
4-Methyl-5-phenyl-1,2-oxazol-3-amine hydrochloride
CID 139026301
4-Bromo-3-methyl-5-phenyl-1,2-oxazole
CID 12637255
5-(4-Bromophenyl)-3-methylisoxazole
CID 21034016
5-(4-Bromophenyl)-3,4-dimethyl-1,2-oxazole
CID 71405414
3-(4-Bromo-3-methylphenyl)-4-(3-fluorophenyl)-5-methyl-1,2-oxazole
CID 22316600
4-[[2-Bromo-5-(trifluoromethyl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 71225699

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine (CID 81117241) is 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine is CCCc1c(N)noc1-c1cc(C)ccc1Br.
What is the InChIKey of 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
The InChIKey is KHKWVNFJELATKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-3-4-9-12(17-16-13(9)15)10-7-8(2)5-6-11(10)14/h5-7H,3-4H2,1-2H3,(H2,15,16).
What are the key properties of 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine?
5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine has a molecular weight of 295.18 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-methylphenyl)-4-propyl-1,2-oxazol-3-amine is sourced from PubChem (CID 81117241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).