4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol

C16H13NO4S — CID 56822051

IUPAC4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)on1)c1ccc(O)cc1
InChIInChI=1S/C16H13NO4S/c18-14-6-8-15(9-7-14)22(19,20)11-13-10-16(21-17-13)12-4-2-1-3-5-12/h1-10,18H,11H2
InChIKeyMOMTUFVRBZHKSO-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.02
Rot. Bonds4

About 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol

4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol (PubChem CID 56822051) has the molecular formula C16H13NO4S and a molecular weight of 315.35 g/mol. Its IUPAC name is 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol.

Molecular Properties

Compound Name4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol
PubChem CID56822051
Molecular FormulaC16H13NO4S
Molecular Weight315.35 g/mol
Exact Mass315.06
IUPAC Name4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol
SMILESO=S(=O)(Cc1cc(-c2ccccc2)on1)c1ccc(O)cc1
InChIInChI=1S/C16H13NO4S/c18-14-6-8-15(9-7-14)22(19,20)11-13-10-16(21-17-13)12-4-2-1-3-5-12/h1-10,18H,11H2
InChIKeyMOMTUFVRBZHKSO-UHFFFAOYSA-N
XLogP3.02
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol?
The IUPAC name of 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol (CID 56822051) is 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol.
What is the SMILES notation for 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol?
The canonical SMILES for 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol is O=S(=O)(Cc1cc(-c2ccccc2)on1)c1ccc(O)cc1.
What is the InChIKey of 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol?
The InChIKey is MOMTUFVRBZHKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S/c18-14-6-8-15(9-7-14)22(19,20)11-13-10-16(21-17-13)12-4-2-1-3-5-12/h1-10,18H,11H2.
What are the key properties of 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol?
4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol has a molecular weight of 315.35 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1,2-oxazol-3-yl)methylsulfonyl]phenol is sourced from PubChem (CID 56822051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).