1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine

C12H13N3OS — CID 82383845

IUPAC1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCc1c(C(N)Cc2cccs2)oc2nccn12
InChIInChI=1S/C12H13N3OS/c1-8-11(16-12-14-4-5-15(8)12)10(13)7-9-3-2-6-17-9/h2-6,10H,7,13H2,1H3
InChIKeyYRHCIOFETOCCIX-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.54
Rot. Bonds3

About 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine

1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine (PubChem CID 82383845) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine.

Molecular Properties

Compound Name1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine
PubChem CID82383845
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine
SMILESCc1c(C(N)Cc2cccs2)oc2nccn12
InChIInChI=1S/C12H13N3OS/c1-8-11(16-12-14-4-5-15(8)12)10(13)7-9-3-2-6-17-9/h2-6,10H,7,13H2,1H3
InChIKeyYRHCIOFETOCCIX-UHFFFAOYSA-N
XLogP2.54
TPSA56.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 106370282
CID 106370282

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine?
The IUPAC name of 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine (CID 82383845) is 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine.
What is the SMILES notation for 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine?
The canonical SMILES for 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine is Cc1c(C(N)Cc2cccs2)oc2nccn12.
What is the InChIKey of 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine?
The InChIKey is YRHCIOFETOCCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-8-11(16-12-14-4-5-15(8)12)10(13)7-9-3-2-6-17-9/h2-6,10H,7,13H2,1H3.
What are the key properties of 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine?
1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazo[2,1-b][1,3]oxazol-2-yl)-2-thiophen-2-ylethanamine is sourced from PubChem (CID 82383845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).