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

C16H13BrN2O2 — CID 61261442

IUPAC3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3cccc(Br)c3)noc2N)c1
InChIInChI=1S/C16H13BrN2O2/c1-20-13-7-3-4-10(9-13)14-15(19-21-16(14)18)11-5-2-6-12(17)8-11/h2-9H,18H2,1H3
InChIKeyUIDNNJFBTXIOGN-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.36
Rot. Bonds3

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

3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 61261442) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID61261442
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3cccc(Br)c3)noc2N)c1
InChIInChI=1S/C16H13BrN2O2/c1-20-13-7-3-4-10(9-13)14-15(19-21-16(14)18)11-5-2-6-12(17)8-11/h2-9H,18H2,1H3
InChIKeyUIDNNJFBTXIOGN-UHFFFAOYSA-N
XLogP4.36
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62829950
3-(3-iodophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61263311
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261819
4-(3-bromophenyl)-3-(3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 43560893
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine
CID 43560884
4-(3-methoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62678255

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (CID 61261442) is 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is COc1cccc(-c2c(-c3cccc(Br)c3)noc2N)c1.
What is the InChIKey of 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is UIDNNJFBTXIOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-20-13-7-3-4-10(9-13)14-15(19-21-16(14)18)11-5-2-6-12(17)8-11/h2-9H,18H2,1H3.
What are the key properties of 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 345.20 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 61261442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).