5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole

C17H16N2O2S — CID 42630047

IUPAC5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole
SMILESCSc1ccc(OCc2c(-c3ccccc3)noc2C)nc1
InChIInChI=1S/C17H16N2O2S/c1-12-15(11-20-16-9-8-14(22-2)10-18-16)17(19-21-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyAQJILTBAHDGOBA-UHFFFAOYSA-N
MW312.39 g/mol
LogP4.35
Rot. Bonds5

About 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole

5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole (PubChem CID 42630047) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole
PubChem CID42630047
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole
SMILESCSc1ccc(OCc2c(-c3ccccc3)noc2C)nc1
InChIInChI=1S/C17H16N2O2S/c1-12-15(11-20-16-9-8-14(22-2)10-18-16)17(19-21-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKeyAQJILTBAHDGOBA-UHFFFAOYSA-N
XLogP4.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole?
The IUPAC name of 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole (CID 42630047) is 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole.
What is the SMILES notation for 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole?
The canonical SMILES for 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole is CSc1ccc(OCc2c(-c3ccccc3)noc2C)nc1.
What is the InChIKey of 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole?
The InChIKey is AQJILTBAHDGOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-12-15(11-20-16-9-8-14(22-2)10-18-16)17(19-21-12)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole?
5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole has a molecular weight of 312.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methylsulfanyl-2-pyridinyl)oxymethyl]-3-phenyl-1,2-oxazole is sourced from PubChem (CID 42630047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).