2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole

C15H20FNOS — CID 18630015

IUPAC2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2c(F)cccc2SC(C)(C)C)=N1
InChIInChI=1S/C15H20FNOS/c1-14(2,3)19-11-8-6-7-10(16)12(11)13-17-15(4,5)9-18-13/h6-8H,9H2,1-5H3
InChIKeyKFVZPDNPTSSMEQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.27
Rot. Bonds2

About 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 18630015) has the molecular formula C15H20FNOS and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID18630015
Molecular FormulaC15H20FNOS
Molecular Weight281.40 g/mol
Exact Mass281.12
IUPAC Name2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2c(F)cccc2SC(C)(C)C)=N1
InChIInChI=1S/C15H20FNOS/c1-14(2,3)19-11-8-6-7-10(16)12(11)13-17-15(4,5)9-18-13/h6-8H,9H2,1-5H3
InChIKeyKFVZPDNPTSSMEQ-UHFFFAOYSA-N
XLogP4.27
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 18630015) is 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2c(F)cccc2SC(C)(C)C)=N1.
What is the InChIKey of 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is KFVZPDNPTSSMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNOS/c1-14(2,3)19-11-8-6-7-10(16)12(11)13-17-15(4,5)9-18-13/h6-8H,9H2,1-5H3.
What are the key properties of 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 281.40 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfanyl-6-fluorophenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 18630015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).