2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole

C14H9ClFN3OS — CID 51348336

IUPAC2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(SCc2ccc(Cl)nc2)o1
InChIInChI=1S/C14H9ClFN3OS/c15-12-6-5-9(7-17-12)8-21-14-19-18-13(20-14)10-3-1-2-4-11(10)16/h1-7H,8H2
InChIKeyBIPOMABEEHSDAM-UHFFFAOYSA-N
MW321.76 g/mol
LogP4.22
Rot. Bonds4

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

2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 51348336) has the molecular formula C14H9ClFN3OS and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID51348336
Molecular FormulaC14H9ClFN3OS
Molecular Weight321.76 g/mol
Exact Mass321.01
IUPAC Name2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(SCc2ccc(Cl)nc2)o1
InChIInChI=1S/C14H9ClFN3OS/c15-12-6-5-9(7-17-12)8-21-14-19-18-13(20-14)10-3-1-2-4-11(10)16/h1-7H,8H2
InChIKeyBIPOMABEEHSDAM-UHFFFAOYSA-N
XLogP4.22
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-phenyl-1,3,4-oxadiazole
CID 31048483
2-(2-fluorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 859809
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 51348485
2-[5-[[4-[[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
CID 3165512
N-[2-(4-chlorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7443891
2-benzylsulfanyl-5-(2,4-dichlorophenyl)-1,3,4-oxadiazole
CID 562598
2-benzylsulfanyl-5-[2-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 53495036
2-(2-fluorophenyl)-5-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 8522890
2-(2-fluorophenyl)-5-(2-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962720
2-(4-chlorophenyl)-5-[(3-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 78762558
2-[5-[(4-tert-butylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]phenol
CID 856412
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7444441

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 51348336) is 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(SCc2ccc(Cl)nc2)o1.
What is the InChIKey of 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is BIPOMABEEHSDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3OS/c15-12-6-5-9(7-17-12)8-21-14-19-18-13(20-14)10-3-1-2-4-11(10)16/h1-7H,8H2.
What are the key properties of 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 321.76 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-3-pyridinyl)methylsulfanyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 51348336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).