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

C13H11BrN4O — CID 107972748

IUPAC4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
SMILESCn1cnc(-c2noc(N)c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C13H11BrN4O/c1-18-6-10(16-7-18)12-11(13(15)19-17-12)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3
InChIKeyPSHBHDCZHJIFOI-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.09
Rot. Bonds2

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

4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine (PubChem CID 107972748) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
PubChem CID107972748
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
SMILESCn1cnc(-c2noc(N)c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C13H11BrN4O/c1-18-6-10(16-7-18)12-11(13(15)19-17-12)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3
InChIKeyPSHBHDCZHJIFOI-UHFFFAOYSA-N
XLogP3.09
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylimidazol-4-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 114022695
4-(4-methoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972754
4-(4-ethoxyphenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972766
4-(2,6-dichlorophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine
CID 107972739
4-(4-bromophenyl)-3-pyrimidin-2-yl-1,2-oxazol-5-amine
CID 114552823
4-(4-bromophenyl)-3-(furan-2-yl)-1,2-oxazol-5-amine
CID 43158061
3-(2-bromo-3-methylphenyl)-4-(4-bromophenyl)-1,2-oxazol-5-amine
CID 107982866
4-(4-bromophenyl)-3-(2-chlorofuran-3-yl)-1,2-oxazol-5-amine
CID 106687946
3-(2,4-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107955338
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
3-(1-methylpyrazol-3-yl)-4-(4-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 103119559
4-bromo-2-(1-methylimidazol-4-yl)aniline
CID 163393520

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine (CID 107972748) is 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine is Cn1cnc(-c2noc(N)c2-c2ccc(Br)cc2)c1.
What is the InChIKey of 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
The InChIKey is PSHBHDCZHJIFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-18-6-10(16-7-18)12-11(13(15)19-17-12)8-2-4-9(14)5-3-8/h2-7H,15H2,1H3.
What are the key properties of 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine?
4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine has a molecular weight of 319.16 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-(1-methylimidazol-4-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107972748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).