1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine

C10H11ClN2OS — CID 102976657

IUPAC1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ccon1)c1csc(Cl)c1
InChIInChI=1S/C10H11ClN2OS/c1-7(8-4-10(11)15-6-8)12-5-9-2-3-14-13-9/h2-4,6-7,12H,5H2,1H3
InChIKeyPUJNEPULBNFFIG-UHFFFAOYSA-N
MW242.73 g/mol
LogP3.24
Rot. Bonds4

About 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine

1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine (PubChem CID 102976657) has the molecular formula C10H11ClN2OS and a molecular weight of 242.73 g/mol. Its IUPAC name is 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
PubChem CID102976657
Molecular FormulaC10H11ClN2OS
Molecular Weight242.73 g/mol
Exact Mass242.03
IUPAC Name1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
SMILESCC(NCc1ccon1)c1csc(Cl)c1
InChIInChI=1S/C10H11ClN2OS/c1-7(8-4-10(11)15-6-8)12-5-9-2-3-14-13-9/h2-4,6-7,12H,5H2,1H3
InChIKeyPUJNEPULBNFFIG-UHFFFAOYSA-N
XLogP3.24
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-3-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 102976235
1-(3,4-dimethylphenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 81171162
4-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170192
1-naphthalen-2-yl-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79501678
3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170422
1-(5-chlorothiophen-3-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 102976449
N-[(2-bromophenyl)methyl]-1-(5-chlorothiophen-3-yl)ethanamine
CID 102976521
4-[1-(5-chlorothiophen-3-yl)ethylamino]butan-2-ol
CID 102976600
1-(5-chlorothiophen-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 102976976
3-methyl-N-(1,2-oxazol-3-ylmethyl)butan-2-amine
CID 81171315
1-(4-nitrophenyl)-N-(1,2-oxazol-3-ylmethyl)ethanamine
CID 79822798
1-(5-chlorothiophen-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]ethanamine
CID 114082779

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The IUPAC name of 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine (CID 102976657) is 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine is CC(NCc1ccon1)c1csc(Cl)c1.
What is the InChIKey of 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
The InChIKey is PUJNEPULBNFFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2OS/c1-7(8-4-10(11)15-6-8)12-5-9-2-3-14-13-9/h2-4,6-7,12H,5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine?
1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine has a molecular weight of 242.73 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-3-yl)-N-(1,2-oxazol-3-ylmethyl)ethanamine is sourced from PubChem (CID 102976657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).