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

C14H11BrN2O3 — CID 61261819

IUPAC3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3ccc(Br)o3)noc2N)c1
InChIInChI=1S/C14H11BrN2O3/c1-18-9-4-2-3-8(7-9)12-13(17-20-14(12)16)10-5-6-11(15)19-10/h2-7H,16H2,1H3
InChIKeyLWXIAAVQSCHAMP-UHFFFAOYSA-N
MW335.16 g/mol
LogP3.95
Rot. Bonds3

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

3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 61261819) has the molecular formula C14H11BrN2O3 and a molecular weight of 335.16 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID61261819
Molecular FormulaC14H11BrN2O3
Molecular Weight335.16 g/mol
Exact Mass334.00
IUPAC Name3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cccc(-c2c(-c3ccc(Br)o3)noc2N)c1
InChIInChI=1S/C14H11BrN2O3/c1-18-9-4-2-3-8(7-9)12-13(17-20-14(12)16)10-5-6-11(15)19-10/h2-7H,16H2,1H3
InChIKeyLWXIAAVQSCHAMP-UHFFFAOYSA-N
XLogP3.95
TPSA74.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-bromofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 43335944
3-(3-bromophenyl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 61261442
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
4-(3-methoxyphenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119565
3-(5-bromofuran-2-yl)-4-(3,5-difluorophenyl)-1,2-oxazol-5-amine
CID 61496477
3-(3-chlorothiophen-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine
CID 80644237
4-(3-bromophenyl)-3-(5-chlorofuran-2-yl)-1,2-oxazol-5-amine
CID 106687975
3-(5-chlorofuran-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
CID 106687953
3-(3-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 55079639
4-(3-bromophenyl)-3-(5-nitrofuran-2-yl)-1,2-oxazol-5-amine
CID 43560884
4-(3-methoxyphenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 61262192

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine (CID 61261819) is 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is COc1cccc(-c2c(-c3ccc(Br)o3)noc2N)c1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is LWXIAAVQSCHAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O3/c1-18-9-4-2-3-8(7-9)12-13(17-20-14(12)16)10-5-6-11(15)19-10/h2-7H,16H2,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine?
3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 335.16 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-4-(3-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 61261819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).