3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide

C15H19N3O2S — CID 74236898

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCCSc1ccccn1
InChIInChI=1S/C15H19N3O2S/c1-11-13(12(2)20-18-11)6-7-14(19)16-9-10-21-15-5-3-4-8-17-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,19)
InChIKeyIIOZLPOEQLIXQB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.53
Rot. Bonds7

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide (PubChem CID 74236898) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide
PubChem CID74236898
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCCSc1ccccn1
InChIInChI=1S/C15H19N3O2S/c1-11-13(12(2)20-18-11)6-7-14(19)16-9-10-21-15-5-3-4-8-17-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,19)
InChIKeyIIOZLPOEQLIXQB-UHFFFAOYSA-N
XLogP2.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.53
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 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide (CID 74236898) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide is Cc1noc(C)c1CCC(=O)NCCSc1ccccn1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide?
The InChIKey is IIOZLPOEQLIXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-13(12(2)20-18-11)6-7-14(19)16-9-10-21-15-5-3-4-8-17-15/h3-5,8H,6-7,9-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyridin-2-ylsulfanylethyl)propanamide is sourced from PubChem (CID 74236898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).