3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine

C6H10N2OS — CID 20550119

IUPAC3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
SMILESNCCCSc1ncco1
InChIInChI=1S/C6H10N2OS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5,7H2
InChIKeyWEFQIKUAUCFUDX-UHFFFAOYSA-N
MW158.23 g/mol
LogP1.12
Rot. Bonds4

About 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine

3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine (PubChem CID 20550119) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
PubChem CID20550119
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine
SMILESNCCCSc1ncco1
InChIInChI=1S/C6H10N2OS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5,7H2
InChIKeyWEFQIKUAUCFUDX-UHFFFAOYSA-N
XLogP1.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The IUPAC name of 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine (CID 20550119) is 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine.
What is the SMILES notation for 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The canonical SMILES for 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine is NCCCSc1ncco1.
What is the InChIKey of 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
The InChIKey is WEFQIKUAUCFUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c7-2-1-5-10-6-8-3-4-9-6/h3-4H,1-2,5,7H2.
What are the key properties of 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine?
3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine has a molecular weight of 158.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-oxazol-2-ylsulfanyl)propan-1-amine is sourced from PubChem (CID 20550119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).