2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole

C10H8Cl2N2OS — CID 103520114

IUPAC2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(SCc2nc(Cl)ccc2Cl)n1
InChIInChI=1S/C10H8Cl2N2OS/c1-6-4-15-10(13-6)16-5-8-7(11)2-3-9(12)14-8/h2-4H,5H2,1H3
InChIKeyBGIYVUJZWFBXSX-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.98
Rot. Bonds3

About 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole

2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole (PubChem CID 103520114) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
PubChem CID103520114
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole
SMILESCc1coc(SCc2nc(Cl)ccc2Cl)n1
InChIInChI=1S/C10H8Cl2N2OS/c1-6-4-15-10(13-6)16-5-8-7(11)2-3-9(12)14-8/h2-4H,5H2,1H3
InChIKeyBGIYVUJZWFBXSX-UHFFFAOYSA-N
XLogP3.98
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole?
The IUPAC name of 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole (CID 103520114) is 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole?
The canonical SMILES for 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole is Cc1coc(SCc2nc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole?
The InChIKey is BGIYVUJZWFBXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c1-6-4-15-10(13-6)16-5-8-7(11)2-3-9(12)14-8/h2-4H,5H2,1H3.
What are the key properties of 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole?
2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole has a molecular weight of 275.16 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloro-2-pyridinyl)methylsulfanyl]-4-methyl-1,3-oxazole is sourced from PubChem (CID 103520114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).