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

C14H11BrN2O2S — CID 62501563

IUPAC3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(Br)c(-c2noc(N)c2-c2cccs2)c1
InChIInChI=1S/C14H11BrN2O2S/c1-18-8-4-5-10(15)9(7-8)13-12(14(16)19-17-13)11-3-2-6-20-11/h2-7H,16H2,1H3
InChIKeyROPUARMOKBVPHO-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.42
Rot. Bonds3

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

3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (PubChem CID 62501563) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
PubChem CID62501563
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(Br)c(-c2noc(N)c2-c2cccs2)c1
InChIInChI=1S/C14H11BrN2O2S/c1-18-8-4-5-10(15)9(7-8)13-12(14(16)19-17-13)11-3-2-6-20-11/h2-7H,16H2,1H3
InChIKeyROPUARMOKBVPHO-UHFFFAOYSA-N
XLogP4.42
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine (CID 62501563) is 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is COc1ccc(Br)c(-c2noc(N)c2-c2cccs2)c1.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
The InChIKey is ROPUARMOKBVPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-18-8-4-5-10(15)9(7-8)13-12(14(16)19-17-13)11-3-2-6-20-11/h2-7H,16H2,1H3.
What are the key properties of 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine?
3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine has a molecular weight of 351.23 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyphenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 62501563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).