5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine

C13H7BrCl2N2O2 — CID 66200957

IUPAC5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)o2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7BrCl2N2O2/c14-10-4-3-9(19-10)12-11(13(17)18-20-12)7-2-1-6(15)5-8(7)16/h1-5H,(H2,17,18)
InChIKeyZJFHEAMBSCTJNY-UHFFFAOYSA-N
MW374.02 g/mol
LogP5.25
Rot. Bonds2

About 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine

5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (PubChem CID 66200957) has the molecular formula C13H7BrCl2N2O2 and a molecular weight of 374.02 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
PubChem CID66200957
Molecular FormulaC13H7BrCl2N2O2
Molecular Weight374.02 g/mol
Exact Mass371.91
IUPAC Name5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)o2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H7BrCl2N2O2/c14-10-4-3-9(19-10)12-11(13(17)18-20-12)7-2-1-6(15)5-8(7)16/h1-5H,(H2,17,18)
InChIKeyZJFHEAMBSCTJNY-UHFFFAOYSA-N
XLogP5.25
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.02
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-bromofuran-2-yl)-4-(3,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66200021
4-(2,4-dichlorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66199955
4-(2-chloro-4-fluorophenyl)-5-(5-chlorofuran-2-yl)-1,2-oxazol-3-amine
CID 106690672
4-(2,4-dichlorophenyl)-5-(3-methylfuran-2-yl)-1,2-oxazol-3-amine
CID 66200956
5-(5-bromofuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-3-amine
CID 80525756
5-(5-bromofuran-2-yl)-4-iodo-1,2-oxazol-3-amine
CID 79557285
4-(2,4-dichlorophenyl)-5-(3-methylphenyl)-1,2-oxazol-3-amine
CID 66200150
5-(2,4-dichlorophenyl)-4-iodo-1,2-oxazol-3-amine
CID 79555967
5-(5-bromofuran-2-yl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80524267
5-(5-bromothiophen-2-yl)-4-(2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 66199685
4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 79555310
5-(cyclopentylmethyl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198154

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine (CID 66200957) is 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Br)o2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
The InChIKey is ZJFHEAMBSCTJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2N2O2/c14-10-4-3-9(19-10)12-11(13(17)18-20-12)7-2-1-6(15)5-8(7)16/h1-5H,(H2,17,18).
What are the key properties of 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine?
5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine has a molecular weight of 374.02 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-4-(2,4-dichlorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).