2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol

C16H12FNO2S — CID 62001067

IUPAC2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol
SMILESOc1ccccc1SCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FNO2S/c17-12-7-5-11(6-8-12)14-9-18-16(20-14)10-21-15-4-2-1-3-13(15)19/h1-9,19H,10H2
InChIKeyIZEXNQKQTDWEHI-UHFFFAOYSA-N
MW301.34 g/mol
LogP4.48
Rot. Bonds4

About 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol

2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol (PubChem CID 62001067) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol.

Molecular Properties

Compound Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol
PubChem CID62001067
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol
SMILESOc1ccccc1SCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C16H12FNO2S/c17-12-7-5-11(6-8-12)14-9-18-16(20-14)10-21-15-4-2-1-3-13(15)19/h1-9,19H,10H2
InChIKeyIZEXNQKQTDWEHI-UHFFFAOYSA-N
XLogP4.48
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-2-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79128334
5-(4-fluorophenyl)-2-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole
CID 27724336
5-(4-fluorophenyl)-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
CID 42069312
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 9416941
2-[[1-(4-chlorophenyl)imidazol-2-yl]sulfanylmethyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 16601553
[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl-phenylphosphane
CID 71175511
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 46693046
1-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methylmethanamine
CID 3049275
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
CID 82397195
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
2-fluoro-4-[(5-phenyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 79130770
5-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]-1,3-thiazol-2-amine
CID 43249855

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol?
The IUPAC name of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol (CID 62001067) is 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol.
What is the SMILES notation for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol?
The canonical SMILES for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol is Oc1ccccc1SCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol?
The InChIKey is IZEXNQKQTDWEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2S/c17-12-7-5-11(6-8-12)14-9-18-16(20-14)10-21-15-4-2-1-3-13(15)19/h1-9,19H,10H2.
What are the key properties of 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol?
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol has a molecular weight of 301.34 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methylsulfanyl]phenol is sourced from PubChem (CID 62001067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).