2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole

C11H11ClN2OS — CID 103710782

IUPAC2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(SCc2cccc(Cl)n2)oc1C
InChIInChI=1S/C11H11ClN2OS/c1-7-8(2)15-11(13-7)16-6-9-4-3-5-10(12)14-9/h3-5H,6H2,1-2H3
InChIKeyNOZBITVVSRRNLX-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.63
Rot. Bonds3

About 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole

2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 103710782) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
PubChem CID103710782
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(SCc2cccc(Cl)n2)oc1C
InChIInChI=1S/C11H11ClN2OS/c1-7-8(2)15-11(13-7)16-6-9-4-3-5-10(12)14-9/h3-5H,6H2,1-2H3
InChIKeyNOZBITVVSRRNLX-UHFFFAOYSA-N
XLogP3.63
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.63
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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Related Compounds

N-(2-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9457037
N-(3-chloro-4-fluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9456672
2-[(5-Chloro-3-fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 103738555
2-[(6-Fluoro-2-pyridinyl)sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923491
2-[[6-Chloro-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4,5-dimethyl-1,3-oxazole
CID 106923518
N-(5-chloro-2-fluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 133793342
N-(2-chloro-4-fluorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 133992948
4-(2-Chloro-6-{[(4,5-dimethyl-1,3-oxazol-2-yl)thio]methyl}-4-pyridinyl)morpholine
CID 58110403
N-(2,4-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9456715
N-(2,5-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9456731
N-(3-chlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9457062
N-(2,6-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9457924

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole (CID 103710782) is 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(SCc2cccc(Cl)n2)oc1C.
What is the InChIKey of 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is NOZBITVVSRRNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-7-8(2)15-11(13-7)16-6-9-4-3-5-10(12)14-9/h3-5H,6H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole?
2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 254.74 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-pyridinyl)methylsulfanyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 103710782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).