cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone

C13H12N2O2S — CID 54230141

IUPACcyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone
SMILESCSc1ncccc1-c1oncc1C(=O)C1CC1
InChIInChI=1S/C13H12N2O2S/c1-18-13-9(3-2-6-14-13)12-10(7-15-17-12)11(16)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyQIQYEZAYKBZUGO-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.05
Rot. Bonds4

About cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone

cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone (PubChem CID 54230141) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone
PubChem CID54230141
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Namecyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone
SMILESCSc1ncccc1-c1oncc1C(=O)C1CC1
InChIInChI=1S/C13H12N2O2S/c1-18-13-9(3-2-6-14-13)12-10(7-15-17-12)11(16)8-4-5-8/h2-3,6-8H,4-5H2,1H3
InChIKeyQIQYEZAYKBZUGO-UHFFFAOYSA-N
XLogP3.05
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone?
The IUPAC name of cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone (CID 54230141) is cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone?
The canonical SMILES for cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone is CSc1ncccc1-c1oncc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone?
The InChIKey is QIQYEZAYKBZUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-18-13-9(3-2-6-14-13)12-10(7-15-17-12)11(16)8-4-5-8/h2-3,6-8H,4-5H2,1H3.
What are the key properties of cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone?
cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone has a molecular weight of 260.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[5-(2-methylsulfanyl-3-pyridinyl)-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 54230141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).