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

C15H13BrN2OS — CID 66199043

IUPAC4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCc1ccc(-c2onc(N)c2-c2cccc(Br)c2)s1
InChIInChI=1S/C15H13BrN2OS/c1-2-11-6-7-12(20-11)14-13(15(17)18-19-14)9-4-3-5-10(16)8-9/h3-8H,2H2,1H3,(H2,17,18)
InChIKeyCIRIIXZRDURJDO-UHFFFAOYSA-N
MW349.25 g/mol
LogP4.98
Rot. Bonds3

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

4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 66199043) has the molecular formula C15H13BrN2OS and a molecular weight of 349.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID66199043
Molecular FormulaC15H13BrN2OS
Molecular Weight349.25 g/mol
Exact Mass347.99
IUPAC Name4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCc1ccc(-c2onc(N)c2-c2cccc(Br)c2)s1
InChIInChI=1S/C15H13BrN2OS/c1-2-11-6-7-12(20-11)14-13(15(17)18-19-14)9-4-3-5-10(16)8-9/h3-8H,2H2,1H3,(H2,17,18)
InChIKeyCIRIIXZRDURJDO-UHFFFAOYSA-N
XLogP4.98
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine (CID 66199043) is 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine is CCc1ccc(-c2onc(N)c2-c2cccc(Br)c2)s1.
What is the InChIKey of 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is CIRIIXZRDURJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2OS/c1-2-11-6-7-12(20-11)14-13(15(17)18-19-14)9-4-3-5-10(16)8-9/h3-8H,2H2,1H3,(H2,17,18).
What are the key properties of 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 349.25 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-5-(5-ethylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66199043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).