(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate

C18H14F2N2O3S — CID 16611769

IUPAC(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C18H14F2N2O3S/c1-11-14(22-15(25-11)12-6-3-2-4-7-12)10-24-17(23)13-8-5-9-21-16(13)26-18(19)20/h2-9,18H,10H2,1H3
InChIKeySPNZBSSZFJMNDX-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.72
Rot. Bonds6

About (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate

(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate (PubChem CID 16611769) has the molecular formula C18H14F2N2O3S and a molecular weight of 376.38 g/mol. Its IUPAC name is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate.

Molecular Properties

Compound Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
PubChem CID16611769
Molecular FormulaC18H14F2N2O3S
Molecular Weight376.38 g/mol
Exact Mass376.07
IUPAC Name(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate
SMILESCc1oc(-c2ccccc2)nc1COC(=O)c1cccnc1SC(F)F
InChIInChI=1S/C18H14F2N2O3S/c1-11-14(22-15(25-11)12-6-3-2-4-7-12)10-24-17(23)13-8-5-9-21-16(13)26-18(19)20/h2-9,18H,10H2,1H3
InChIKeySPNZBSSZFJMNDX-UHFFFAOYSA-N
XLogP4.72
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Benzyl 2-(5-phenyl-3-pyridyl)oxazole-4-carboxylate
CID 46201521
Benzyl 2-(6-methyl-3-pyridyl)oxazole-4-carboxylate
CID 46201475
Benzyl 2-(3-pyridyl)oxazole-4-carboxylate
CID 46201477
Benzyl 2-(2-phenylsulfanyl-3-pyridyl)oxazole-4-carboxylate
CID 46201657
2-[2-(4-Fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]ethyl pyridine-3-carboxylate
CID 13583384
[2-(4-Fluorophenyl)-5-thiophen-3-yl-1,3-oxazol-4-yl]methyl pyridine-3-carboxylate
CID 13583387
Benzyl 2-[2-(benzenesulfonyl)-3-pyridyl]oxazole-4-carboxylate
CID 46201656
Ethyl 2-[6-(trifluoromethyl)pyridin-3-yl]-1,3-oxazole-4-carboxylate
CID 122477428
[2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(3-pyridyl)ethyl] acetate
CID 5278376
US10865384, Example 5b
CID 118296097
4-Phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazole
CID 162418221
[5-Phenyl-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-oxazol-4-yl]methanol
CID 162418222

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The IUPAC name of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate (CID 16611769) is (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate.
What is the SMILES notation for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The canonical SMILES for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate is Cc1oc(-c2ccccc2)nc1COC(=O)c1cccnc1SC(F)F.
What is the InChIKey of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
The InChIKey is SPNZBSSZFJMNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O3S/c1-11-14(22-15(25-11)12-6-3-2-4-7-12)10-24-17(23)13-8-5-9-21-16(13)26-18(19)20/h2-9,18H,10H2,1H3.
What are the key properties of (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate?
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate has a molecular weight of 376.38 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-(difluoromethylsulfanyl)pyridine-3-carboxylate is sourced from PubChem (CID 16611769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).