2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole

C20H15FN2O2S — CID 78860401

IUPAC2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(CSCc3coc(-c4ccccc4)n3)co2)c1
InChIInChI=1S/C20H15FN2O2S/c21-16-8-4-7-15(9-16)20-23-18(11-25-20)13-26-12-17-10-24-19(22-17)14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyDRBVSHMUYZBMBY-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.57
Rot. Bonds6

About 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole

2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole (PubChem CID 78860401) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
PubChem CID78860401
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole
SMILESFc1cccc(-c2nc(CSCc3coc(-c4ccccc4)n3)co2)c1
InChIInChI=1S/C20H15FN2O2S/c21-16-8-4-7-15(9-16)20-23-18(11-25-20)13-26-12-17-10-24-19(22-17)14-5-2-1-3-6-14/h1-11H,12-13H2
InChIKeyDRBVSHMUYZBMBY-UHFFFAOYSA-N
XLogP5.57
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propan-1-ol
CID 66115439
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]aniline
CID 43299130
4-fluoro-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]aniline
CID 79127403
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 33276229
3-[2-(3-fluorophenyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084370
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenoxyaniline
CID 56682804
1-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-amine
CID 65249857
4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-2,6-dimethylpyrimidine-5-carbonitrile
CID 33358983
4-(benzylsulfanylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 55542268
2-methyl-3-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-amine
CID 66224733
4-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-(3-fluorophenyl)-1,3-oxazole
CID 33269766
3-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-5-(furan-2-yl)-1,2,4-triazol-4-amine
CID 46593532

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole?
The IUPAC name of 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole (CID 78860401) is 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole is Fc1cccc(-c2nc(CSCc3coc(-c4ccccc4)n3)co2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole?
The InChIKey is DRBVSHMUYZBMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c21-16-8-4-7-15(9-16)20-23-18(11-25-20)13-26-12-17-10-24-19(22-17)14-5-2-1-3-6-14/h1-11H,12-13H2.
What are the key properties of 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole?
2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole has a molecular weight of 366.42 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 78860401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).