5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole

C19H19NO3 — CID 58178317

IUPAC5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2cc(C)c(C)c(OC)c2)cc1
InChIInChI=1S/C19H19NO3/c1-12-9-15(10-18(22-4)13(12)2)19-17(11-20-23-19)14-5-7-16(21-3)8-6-14/h5-11H,1-4H3
InChIKeySNGOCMNLFDVVJC-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.64
Rot. Bonds4

About 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole

5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole (PubChem CID 58178317) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
PubChem CID58178317
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole
SMILESCOc1ccc(-c2cnoc2-c2cc(C)c(C)c(OC)c2)cc1
InChIInChI=1S/C19H19NO3/c1-12-9-15(10-18(22-4)13(12)2)19-17(11-20-23-19)14-5-7-16(21-3)8-6-14/h5-11H,1-4H3
InChIKeySNGOCMNLFDVVJC-UHFFFAOYSA-N
XLogP4.64
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole (CID 58178317) is 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole is COc1ccc(-c2cnoc2-c2cc(C)c(C)c(OC)c2)cc1.
What is the InChIKey of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is SNGOCMNLFDVVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-12-9-15(10-18(22-4)13(12)2)19-17(11-20-23-19)14-5-7-16(21-3)8-6-14/h5-11H,1-4H3.
What are the key properties of 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole?
5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 309.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-4,5-dimethylphenyl)-4-(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 58178317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).