3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine

C9H10N2OS — CID 82075946

IUPAC3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine
SMILESNc1cc(CCc2cccs2)no1
InChIInChI=1S/C9H10N2OS/c10-9-6-7(11-12-9)3-4-8-2-1-5-13-8/h1-2,5-6H,3-4,10H2
InChIKeyAJDLEGXHWQCSBM-UHFFFAOYSA-N
MW194.26 g/mol
LogP2.10
Rot. Bonds3

About 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine

3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine (PubChem CID 82075946) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine
PubChem CID82075946
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine
SMILESNc1cc(CCc2cccs2)no1
InChIInChI=1S/C9H10N2OS/c10-9-6-7(11-12-9)3-4-8-2-1-5-13-8/h1-2,5-6H,3-4,10H2
InChIKeyAJDLEGXHWQCSBM-UHFFFAOYSA-N
XLogP2.10
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-(2-thiophen-2-ylethyl)pyrazol-5-amine
CID 82077522
3-propyl-1,2-oxazol-5-amine
CID 2104061
3-[2-(4-ethylphenyl)ethyl]-1,2-oxazol-5-amine
CID 82078778
3-[2-(3-chlorophenyl)ethyl]-1,2-oxazol-5-amine
CID 82080374
3-(3-fluorobut-3-enyl)-1,2-oxazol-5-amine
CID 170138401
3-(2-thiophen-2-ylethyl)aniline
CID 170738786
10-thiophen-2-yldecan-1-amine
CID 22115195
molecular hydrogen;2-thiophen-2-ylethanamine
CID 142393573
3-[2-(2-fluorophenoxy)ethyl]-1,2-oxazol-5-amine
CID 82080194
4-thiophen-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 66199989
2-N,4-dimethyl-2-N-(2-thiophen-2-ylethyl)pyridine-2,5-diamine
CID 79475919
3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propan-1-ol
CID 170887655

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine (CID 82075946) is 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine is Nc1cc(CCc2cccs2)no1.
What is the InChIKey of 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine?
The InChIKey is AJDLEGXHWQCSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c10-9-6-7(11-12-9)3-4-8-2-1-5-13-8/h1-2,5-6H,3-4,10H2.
What are the key properties of 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine?
3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine has a molecular weight of 194.26 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82075946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).