2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine

C10H11ClN2OS — CID 115083581

IUPAC2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCC(CN)c1coc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H11ClN2OS/c1-6(4-12)7-5-14-10(13-7)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3
InChIKeyCQFJKOWWHLYPEN-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.12
Rot. Bonds3

About 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine

2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115083581) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115083581
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESCC(CN)c1coc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C10H11ClN2OS/c1-6(4-12)7-5-14-10(13-7)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3
InChIKeyCQFJKOWWHLYPEN-UHFFFAOYSA-N
XLogP3.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine (CID 115083581) is 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine is CC(CN)c1coc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is CQFJKOWWHLYPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-6(4-12)7-5-14-10(13-7)8-2-3-9(11)15-8/h2-3,5-6H,4,12H2,1H3.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine?
2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 242.73 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115083581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).