4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid

C18H15NO4 — CID 155543008

IUPAC4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H15NO4/c1-12-16(17(19-23-12)13-5-3-2-4-6-13)11-22-15-9-7-14(8-10-15)18(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyMKCUSTFSCYUINE-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.93
Rot. Bonds5

About 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid

4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid (PubChem CID 155543008) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid
PubChem CID155543008
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid
SMILESCc1onc(-c2ccccc2)c1COc1ccc(C(=O)O)cc1
InChIInChI=1S/C18H15NO4/c1-12-16(17(19-23-12)13-5-3-2-4-6-13)11-22-15-9-7-14(8-10-15)18(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyMKCUSTFSCYUINE-UHFFFAOYSA-N
XLogP3.93
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid (CID 155543008) is 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid is Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
The InChIKey is MKCUSTFSCYUINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-12-16(17(19-23-12)13-5-3-2-4-6-13)11-22-15-9-7-14(8-10-15)18(20)21/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid?
4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid has a molecular weight of 309.32 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 155543008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).