5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one

C15H11NO4S — CID 75421544

IUPAC5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one
SMILESO=c1cc(CSc2ncc(-c3ccccc3)o2)occ1O
InChIInChI=1S/C15H11NO4S/c17-12-6-11(19-8-13(12)18)9-21-15-16-7-14(20-15)10-4-2-1-3-5-10/h1-8,18H,9H2
InChIKeySKEUWJHSQQFVAA-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.29
Rot. Bonds4

About 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one

5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one (PubChem CID 75421544) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one
PubChem CID75421544
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one
SMILESO=c1cc(CSc2ncc(-c3ccccc3)o2)occ1O
InChIInChI=1S/C15H11NO4S/c17-12-6-11(19-8-13(12)18)9-21-15-16-7-14(20-15)10-4-2-1-3-5-10/h1-8,18H,9H2
InChIKeySKEUWJHSQQFVAA-UHFFFAOYSA-N
XLogP3.29
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one (CID 75421544) is 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one is O=c1cc(CSc2ncc(-c3ccccc3)o2)occ1O.
What is the InChIKey of 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one?
The InChIKey is SKEUWJHSQQFVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c17-12-6-11(19-8-13(12)18)9-21-15-16-7-14(20-15)10-4-2-1-3-5-10/h1-8,18H,9H2.
What are the key properties of 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one?
5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one has a molecular weight of 301.32 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(5-phenyl-1,3-oxazol-2-yl)sulfanylmethyl]pyran-4-one is sourced from PubChem (CID 75421544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).