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

C10H8BrClN2O2 — CID 79557639

IUPAC4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1onc(N)c1Br
InChIInChI=1S/C10H8BrClN2O2/c1-15-7-3-2-5(12)4-6(7)9-8(11)10(13)14-16-9/h2-4H,1H3,(H2,13,14)
InChIKeyDEPLHVSMZBNUMZ-UHFFFAOYSA-N
MW303.54 g/mol
LogP3.35
Rot. Bonds2

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

4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 79557639) has the molecular formula C10H8BrClN2O2 and a molecular weight of 303.54 g/mol. Its IUPAC name is 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID79557639
Molecular FormulaC10H8BrClN2O2
Molecular Weight303.54 g/mol
Exact Mass301.95
IUPAC Name4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1ccc(Cl)cc1-c1onc(N)c1Br
InChIInChI=1S/C10H8BrClN2O2/c1-15-7-3-2-5(12)4-6(7)9-8(11)10(13)14-16-9/h2-4H,1H3,(H2,13,14)
InChIKeyDEPLHVSMZBNUMZ-UHFFFAOYSA-N
XLogP3.35
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 79555310
5-(5-chloro-2-methoxyphenyl)-4-propyl-1,2-oxazol-3-amine
CID 79411950
5-(2-chlorofuran-3-yl)-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 106690651
5-(5-chloro-2-methoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522616
4-bromo-5-(2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 79555964
5-(5-bromo-2-methoxyphenyl)-4-propan-2-yl-1,2-oxazol-3-amine
CID 112742090
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
5-butyl-4-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 66198020
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
4-bromo-5-(4-methoxy-3-nitrophenyl)-1,2-oxazol-3-amine
CID 79555784
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081
[3-(2,5-dichlorophenyl)-5-(2,5-dimethoxyphenyl)-1,2-oxazol-4-yl]methanol
CID 131868348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine (CID 79557639) is 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine is COc1ccc(Cl)cc1-c1onc(N)c1Br.
What is the InChIKey of 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is DEPLHVSMZBNUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClN2O2/c1-15-7-3-2-5(12)4-6(7)9-8(11)10(13)14-16-9/h2-4H,1H3,(H2,13,14).
What are the key properties of 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine?
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 303.54 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79557639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).