2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine

C10H16N2OS — CID 106924246

IUPAC2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CSc1ncco1
InChIInChI=1S/C10H16N2OS/c1-3-4-11-7-9(2)8-14-10-12-5-6-13-10/h5-6,11H,2-4,7-8H2,1H3
InChIKeyZWTUTIGQDKWIGD-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.32
Rot. Bonds7

About 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine

2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine (PubChem CID 106924246) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine
PubChem CID106924246
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine
SMILESC=C(CNCCC)CSc1ncco1
InChIInChI=1S/C10H16N2OS/c1-3-4-11-7-9(2)8-14-10-12-5-6-13-10/h5-6,11H,2-4,7-8H2,1H3
InChIKeyZWTUTIGQDKWIGD-UHFFFAOYSA-N
XLogP2.32
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine (CID 106924246) is 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine is C=C(CNCCC)CSc1ncco1.
What is the InChIKey of 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine?
The InChIKey is ZWTUTIGQDKWIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-11-7-9(2)8-14-10-12-5-6-13-10/h5-6,11H,2-4,7-8H2,1H3.
What are the key properties of 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine?
2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine has a molecular weight of 212.32 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-oxazol-2-ylsulfanylmethyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 106924246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).