2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine

C10H11ClN2OS — CID 82293528

IUPAC2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1oc(CCN)nc1-c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN2OS/c1-6-10(7-2-3-8(11)15-7)13-9(14-6)4-5-12/h2-3H,4-5,12H2,1H3
InChIKeyZNLMBYULWQMGBD-UHFFFAOYSA-N
MW242.73 g/mol
LogP2.87
Rot. Bonds3

About 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine

2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine (PubChem CID 82293528) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine
PubChem CID82293528
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine
SMILESCc1oc(CCN)nc1-c1ccc(Cl)s1
InChIInChI=1S/C10H11ClN2OS/c1-6-10(7-2-3-8(11)15-7)13-9(14-6)4-5-12/h2-3H,4-5,12H2,1H3
InChIKeyZNLMBYULWQMGBD-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Chlorothiophen-2-yl)-4-ethyl-5-methyl-1,3-oxazole
CID 57948905
1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 54955011
1-(5-chlorothiophen-2-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 64196620
2-[5-(5-Chlorothiophen-2-yl)-4-methyl-1,3-oxazol-2-yl]ethanamine
CID 82085009
(2-Methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)methanamine
CID 82125768
4-(5-Chlorothiophen-2-yl)-2-methyl-1,3-oxazole
CID 82125946
2-(2-Methyl-4-thiophen-2-yl-1,3-oxazol-5-yl)ethanamine
CID 82126622
[4-(5-Chlorothiophen-2-yl)-1,3-oxazol-5-yl]methanamine
CID 82126927
4-(5-Chlorothiophen-2-yl)-2-methyl-1,3-oxazole-5-carbaldehyde
CID 82128291
[4-(5-Chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]methanamine
CID 82128361
2-[4-(5-Chlorothiophen-2-yl)-1,3-oxazol-5-yl]ethanamine
CID 82128362
2-[4-(5-Chlorothiophen-2-yl)-2-methyl-1,3-oxazol-5-yl]ethanamine
CID 82130176

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine (CID 82293528) is 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine is Cc1oc(CCN)nc1-c1ccc(Cl)s1.
What is the InChIKey of 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine?
The InChIKey is ZNLMBYULWQMGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-6-10(7-2-3-8(11)15-7)13-9(14-6)4-5-12/h2-3H,4-5,12H2,1H3.
What are the key properties of 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine?
2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine has a molecular weight of 242.73 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chlorothiophen-2-yl)-5-methyl-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 82293528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).