3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine

C11H15BrN2O2S — CID 154453574

IUPAC3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine
SMILESCOCCCN1OC(N)=CC1c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S/c1-15-6-2-5-14-8(7-11(13)16-14)9-3-4-10(12)17-9/h3-4,7-8H,2,5-6,13H2,1H3
InChIKeyXJTAZQYJSPRLKA-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.64
Rot. Bonds5

About 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine

3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine (PubChem CID 154453574) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine
PubChem CID154453574
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine
SMILESCOCCCN1OC(N)=CC1c1ccc(Br)s1
InChIInChI=1S/C11H15BrN2O2S/c1-15-6-2-5-14-8(7-11(13)16-14)9-3-4-10(12)17-9/h3-4,7-8H,2,5-6,13H2,1H3
InChIKeyXJTAZQYJSPRLKA-UHFFFAOYSA-N
XLogP2.64
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine (CID 154453574) is 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine is COCCCN1OC(N)=CC1c1ccc(Br)s1.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine?
The InChIKey is XJTAZQYJSPRLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-15-6-2-5-14-8(7-11(13)16-14)9-3-4-10(12)17-9/h3-4,7-8H,2,5-6,13H2,1H3.
What are the key properties of 3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine?
3-(5-bromothiophen-2-yl)-2-(3-methoxypropyl)-3H-1,2-oxazol-5-amine has a molecular weight of 319.22 g/mol, XLogP of 2.64, 5 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-(3-methoxypropyl)-3H-1,2-oxazol-5-amine is sourced from PubChem (CID 154453574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).