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

C14H11BrN2O2S — CID 63798656

IUPAC3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3sccc3Br)noc2N)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-18-9-4-2-8(3-5-9)11-12(17-19-14(11)16)13-10(15)6-7-20-13/h2-7H,16H2,1H3
InChIKeyMHXWZIKZAJCKMA-UHFFFAOYSA-N
MW351.23 g/mol
LogP4.42
Rot. Bonds3

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

3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 63798656) has the molecular formula C14H11BrN2O2S and a molecular weight of 351.23 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID63798656
Molecular FormulaC14H11BrN2O2S
Molecular Weight351.23 g/mol
Exact Mass349.97
IUPAC Name3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(-c3sccc3Br)noc2N)cc1
InChIInChI=1S/C14H11BrN2O2S/c1-18-9-4-2-8(3-5-9)11-12(17-19-14(11)16)13-10(15)6-7-20-13/h2-7H,16H2,1H3
InChIKeyMHXWZIKZAJCKMA-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-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine (CID 63798656) is 3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(-c2c(-c3sccc3Br)noc2N)cc1.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is MHXWZIKZAJCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2S/c1-18-9-4-2-8(3-5-9)11-12(17-19-14(11)16)13-10(15)6-7-20-13/h2-7H,16H2,1H3.
What are the key properties of 3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine?
3-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-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-(3-bromothiophen-2-yl)-4-(4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 63798656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).