2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

C12H15ClN2O2S — CID 65182090

IUPAC2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C12H15ClN2O2S/c1-16-7-6-14-5-4-12-15-8-9(17-12)10-2-3-11(13)18-10/h2-3,8,14H,4-7H2,1H3
InChIKeyFJXYJTPERUJOHI-UHFFFAOYSA-N
MW286.78 g/mol
LogP2.84
Rot. Bonds7

About 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine

2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 65182090) has the molecular formula C12H15ClN2O2S and a molecular weight of 286.78 g/mol. Its IUPAC name is 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID65182090
Molecular FormulaC12H15ClN2O2S
Molecular Weight286.78 g/mol
Exact Mass286.05
IUPAC Name2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCc1ncc(-c2ccc(Cl)s2)o1
InChIInChI=1S/C12H15ClN2O2S/c1-16-7-6-14-5-4-12-15-8-9(17-12)10-2-3-11(13)18-10/h2-3,8,14H,4-7H2,1H3
InChIKeyFJXYJTPERUJOHI-UHFFFAOYSA-N
XLogP2.84
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.78
LogP ≤ 52.84
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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Related Compounds

2-[5-(5-chlorofuran-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690356
2-[5-(2-chlorofuran-3-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 106690357
2-(chloromethyl)-5-(5-chlorothiophen-2-yl)-1,3-oxazole
CID 65180092
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
2-[5-(3-bromo-5-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107941918
2-[5-(2,5-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182376
2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107952761
2-[5-(5-bromo-2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182663
2-[5-(1,3-dihydro-2-benzofuran-5-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182137
2-(5-butyl-1,3-oxazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 65182423
3-[5-(3-bromothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184545
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)propan-1-amine
CID 65184898

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine (CID 65182090) is 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCc1ncc(-c2ccc(Cl)s2)o1.
What is the InChIKey of 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is FJXYJTPERUJOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2S/c1-16-7-6-14-5-4-12-15-8-9(17-12)10-2-3-11(13)18-10/h2-3,8,14H,4-7H2,1H3.
What are the key properties of 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine?
2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 286.78 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-chlorothiophen-2-yl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 65182090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).