4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine

C13H9BrN2O2 — CID 43158061

IUPAC4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccco2)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H9BrN2O2/c14-9-5-3-8(4-6-9)11-12(16-18-13(11)15)10-2-1-7-17-10/h1-7H,15H2
InChIKeyVPMGMWZDITVGHN-UHFFFAOYSA-N
MW305.13 g/mol
LogP3.95
Rot. Bonds2

About 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine

4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine (PubChem CID 43158061) has the molecular formula C13H9BrN2O2 and a molecular weight of 305.13 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
PubChem CID43158061
Molecular FormulaC13H9BrN2O2
Molecular Weight305.13 g/mol
Exact Mass303.98
IUPAC Name4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccco2)c1-c1ccc(Br)cc1
InChIInChI=1S/C13H9BrN2O2/c14-9-5-3-8(4-6-9)11-12(16-18-13(11)15)10-2-1-7-17-10/h1-7H,15H2
InChIKeyVPMGMWZDITVGHN-UHFFFAOYSA-N
XLogP3.95
TPSA65.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.13
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552823
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
CID 107982866
4-(2,4-dichlorophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 43335962
4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972748
4-(4-bromophenyl)-3-(2-chloro-3-fluorophenyl)-1,2-oxazol-5-amine
CID 81454071
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
3-(5-bromofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335944
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 107955260
4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
CID 106687975
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine (CID 43158061) is 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine is Nc1onc(-c2ccco2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine?
The InChIKey is VPMGMWZDITVGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O2/c14-9-5-3-8(4-6-9)11-12(16-18-13(11)15)10-2-1-7-17-10/h1-7H,15H2.
What are the key properties of 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine?
4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine has a molecular weight of 305.13 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43158061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).