1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol

C19H19NO2S — CID 24799990

IUPAC1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol
SMILESCSc1cnc(C(O)CCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H19NO2S/c1-23-18-13-20-19(22-18)17(21)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,13,17,21H,9,12H2,1H3
InChIKeyFWIDSAFNXUPIKC-UHFFFAOYSA-N
MW325.43 g/mol
LogP4.73
Rot. Bonds6

About 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol

1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol (PubChem CID 24799990) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol
PubChem CID24799990
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol
SMILESCSc1cnc(C(O)CCc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C19H19NO2S/c1-23-18-13-20-19(22-18)17(21)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,13,17,21H,9,12H2,1H3
InChIKeyFWIDSAFNXUPIKC-UHFFFAOYSA-N
XLogP4.73
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol?
The IUPAC name of 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol (CID 24799990) is 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol.
What is the SMILES notation for 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol?
The canonical SMILES for 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol is CSc1cnc(C(O)CCc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol?
The InChIKey is FWIDSAFNXUPIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c1-23-18-13-20-19(22-18)17(21)12-9-14-7-10-16(11-8-14)15-5-3-2-4-6-15/h2-8,10-11,13,17,21H,9,12H2,1H3.
What are the key properties of 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol?
1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol has a molecular weight of 325.43 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylsulfanyl-1,3-oxazol-2-yl)-3-(4-phenylphenyl)propan-1-ol is sourced from PubChem (CID 24799990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).