3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine

C11H18N2OS — CID 115035817

IUPAC3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCc1coc(C2CCSCC2)n1
InChIInChI=1S/C11H18N2OS/c12-5-1-2-10-8-14-11(13-10)9-3-6-15-7-4-9/h8-9H,1-7,12H2
InChIKeyUGZGSTVTGNAYGE-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.18
Rot. Bonds4

About 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine

3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine (PubChem CID 115035817) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
PubChem CID115035817
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine
SMILESNCCCc1coc(C2CCSCC2)n1
InChIInChI=1S/C11H18N2OS/c12-5-1-2-10-8-14-11(13-10)9-3-6-15-7-4-9/h8-9H,1-7,12H2
InChIKeyUGZGSTVTGNAYGE-UHFFFAOYSA-N
XLogP2.18
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The IUPAC name of 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine (CID 115035817) is 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine.
What is the SMILES notation for 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The canonical SMILES for 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine is NCCCc1coc(C2CCSCC2)n1.
What is the InChIKey of 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
The InChIKey is UGZGSTVTGNAYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c12-5-1-2-10-8-14-11(13-10)9-3-6-15-7-4-9/h8-9H,1-7,12H2.
What are the key properties of 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine?
3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(thian-4-yl)-1,3-oxazol-4-yl]propan-1-amine is sourced from PubChem (CID 115035817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).