3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine

C15H15BrN2O2S — CID 154453571

IUPAC3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine
SMILESCOc1ccc(CN2OC(N)=CC2c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-19-11-4-2-10(3-5-11)9-18-12(8-15(17)20-18)13-6-7-14(16)21-13/h2-8,12H,9,17H2,1H3
InChIKeyXFQMNYGARDVEKN-UHFFFAOYSA-N
MW367.27 g/mol
LogP3.81
Rot. Bonds4

About 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine (PubChem CID 154453571) has the molecular formula C15H15BrN2O2S and a molecular weight of 367.27 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine
PubChem CID154453571
Molecular FormulaC15H15BrN2O2S
Molecular Weight367.27 g/mol
Exact Mass366.00
IUPAC Name3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine
SMILESCOc1ccc(CN2OC(N)=CC2c2ccc(Br)s2)cc1
InChIInChI=1S/C15H15BrN2O2S/c1-19-11-4-2-10(3-5-11)9-18-12(8-15(17)20-18)13-6-7-14(16)21-13/h2-8,12H,9,17H2,1H3
InChIKeyXFQMNYGARDVEKN-UHFFFAOYSA-N
XLogP3.81
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine (CID 154453571) is 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine is COc1ccc(CN2OC(N)=CC2c2ccc(Br)s2)cc1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine?
The InChIKey is XFQMNYGARDVEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2S/c1-19-11-4-2-10(3-5-11)9-18-12(8-15(17)20-18)13-6-7-14(16)21-13/h2-8,12H,9,17H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine has a molecular weight of 367.27 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-2-[(4-methoxyphenyl)methyl]-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 154453571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).