5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol

C16H13NO2 — CID 873963

IUPAC5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol
SMILESCc1ccc(-c2cc(-c3ccccc3)no2)c(O)c1
InChIInChI=1S/C16H13NO2/c1-11-7-8-13(15(18)9-11)16-10-14(17-19-16)12-5-3-2-4-6-12/h2-10,18H,1H3
InChIKeySROVOMIPMPRXBF-UHFFFAOYSA-N
MW251.29 g/mol
LogP4.02
Rot. Bonds2

About 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol

5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol (PubChem CID 873963) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol.

Molecular Properties

Compound Name5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol
PubChem CID873963
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol
SMILESCc1ccc(-c2cc(-c3ccccc3)no2)c(O)c1
InChIInChI=1S/C16H13NO2/c1-11-7-8-13(15(18)9-11)16-10-14(17-19-16)12-5-3-2-4-6-12/h2-10,18H,1H3
InChIKeySROVOMIPMPRXBF-UHFFFAOYSA-N
XLogP4.02
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol?
The IUPAC name of 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol (CID 873963) is 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol.
What is the SMILES notation for 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol?
The canonical SMILES for 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol is Cc1ccc(-c2cc(-c3ccccc3)no2)c(O)c1.
What is the InChIKey of 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol?
The InChIKey is SROVOMIPMPRXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c1-11-7-8-13(15(18)9-11)16-10-14(17-19-16)12-5-3-2-4-6-12/h2-10,18H,1H3.
What are the key properties of 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol?
5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol has a molecular weight of 251.29 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-phenyl-1,2-oxazol-5-yl)phenol is sourced from PubChem (CID 873963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).