6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole

C14H9ClFNOS — CID 165390800

IUPAC6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole
SMILESFc1ccc(CSc2nc3ccc(Cl)cc3o2)cc1
InChIInChI=1S/C14H9ClFNOS/c15-10-3-6-12-13(7-10)18-14(17-12)19-8-9-1-4-11(16)5-2-9/h1-7H,8H2
InChIKeyGYKROEGAXDVMHN-UHFFFAOYSA-N
MW293.75 g/mol
LogP4.91
Rot. Bonds3

About 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole

6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole (PubChem CID 165390800) has the molecular formula C14H9ClFNOS and a molecular weight of 293.75 g/mol. Its IUPAC name is 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole
PubChem CID165390800
Molecular FormulaC14H9ClFNOS
Molecular Weight293.75 g/mol
Exact Mass293.01
IUPAC Name6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole
SMILESFc1ccc(CSc2nc3ccc(Cl)cc3o2)cc1
InChIInChI=1S/C14H9ClFNOS/c15-10-3-6-12-13(7-10)18-14(17-12)19-8-9-1-4-11(16)5-2-9/h1-7H,8H2
InChIKeyGYKROEGAXDVMHN-UHFFFAOYSA-N
XLogP4.91
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methylsulfanyl]-4,5-difluoro-1,3-benzoxazole
CID 165390649
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole
CID 851419
2-[(5-chloro-2-fluorophenyl)methylsulfanyl]-1,3-benzoxazol-5-amine
CID 103049426
4-[(6-amino-1,3-benzoxazol-2-yl)sulfanylmethyl]benzamide
CID 61359052
6-chloro-2-(2-morpholin-4-ylethylsulfanyl)-1,3-benzoxazole
CID 9350477
2-[(1S)-1-(2,4-dichlorophenoxy)ethyl]-5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-oxadiazole
CID 126021177
6-chloro-2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-1,3-benzoxazole
CID 56522476
(2S)-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2,5-difluorophenyl)propanamide
CID 8883729
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-4-chloroaniline
CID 79583234
2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzoxazol-4-ol
CID 165390742
2-[(2,4-difluorophenyl)methylsulfanyl]-1,3-benzoxazol-5-amine
CID 62197389
N-benzyl-2-[(6-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-methylacetamide
CID 7963506

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole (CID 165390800) is 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole is Fc1ccc(CSc2nc3ccc(Cl)cc3o2)cc1.
What is the InChIKey of 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole?
The InChIKey is GYKROEGAXDVMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNOS/c15-10-3-6-12-13(7-10)18-14(17-12)19-8-9-1-4-11(16)5-2-9/h1-7H,8H2.
What are the key properties of 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole?
6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole has a molecular weight of 293.75 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzoxazole is sourced from PubChem (CID 165390800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).