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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Related Compounds

1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
CID 115083522
2-(2-thiophen-2-yl-1,3-oxazol-4-yl)propan-1-amine
CID 115083577
2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]propan-1-amine
CID 115084536
2-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]ethanol
CID 115083549
4-(5-chlorothiophen-2-yl)-2-methyl-1,3-oxazole
CID 82125946
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]butan-1-amine
CID 62278430
2-[2-(5-chlorothiophen-2-yl)-1,3-thiazol-4-yl]propan-1-ol
CID 115089104
3-[4-(1-aminopropan-2-yl)-1,3-oxazol-2-yl]propan-1-ol
CID 115081917
1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115086475
N-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62278238
1-[5-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 62278619
1-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081208

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).