N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine

C10H16N2O2S — CID 106925753

IUPACN-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine
SMILESc1coc(SCCNC2CCOCC2)n1
InChIInChI=1S/C10H16N2O2S/c1-5-13-6-2-9(1)11-4-8-15-10-12-3-7-14-10/h3,7,9,11H,1-2,4-6,8H2
InChIKeyPKRAVTFYDSSTQT-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.54
Rot. Bonds5

About N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine

N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine (PubChem CID 106925753) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine
PubChem CID106925753
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine
SMILESc1coc(SCCNC2CCOCC2)n1
InChIInChI=1S/C10H16N2O2S/c1-5-13-6-2-9(1)11-4-8-15-10-12-3-7-14-10/h3,7,9,11H,1-2,4-6,8H2
InChIKeyPKRAVTFYDSSTQT-UHFFFAOYSA-N
XLogP1.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine (CID 106925753) is N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine is c1coc(SCCNC2CCOCC2)n1.
What is the InChIKey of N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine?
The InChIKey is PKRAVTFYDSSTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5-13-6-2-9(1)11-4-8-15-10-12-3-7-14-10/h3,7,9,11H,1-2,4-6,8H2.
What are the key properties of N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine?
N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine has a molecular weight of 228.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-oxazol-2-ylsulfanyl)ethyl]oxan-4-amine is sourced from PubChem (CID 106925753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).