3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide

C20H20N2O3 — CID 17424122

IUPAC3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccccc3O)o2)cc1C
InChIInChI=1S/C20H20N2O3/c1-13-7-8-15(11-14(13)2)18-12-21-20(25-18)10-9-19(24)22-16-5-3-4-6-17(16)23/h3-8,11-12,23H,9-10H2,1-2H3,(H,22,24)
InChIKeyYJHAOSOHMFQVFN-UHFFFAOYSA-N
MW336.39 g/mol
LogP4.24
Rot. Bonds5

About 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide

3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide (PubChem CID 17424122) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide
PubChem CID17424122
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)Nc3ccccc3O)o2)cc1C
InChIInChI=1S/C20H20N2O3/c1-13-7-8-15(11-14(13)2)18-12-21-20(25-18)10-9-19(24)22-16-5-3-4-6-17(16)23/h3-8,11-12,23H,9-10H2,1-2H3,(H,22,24)
InChIKeyYJHAOSOHMFQVFN-UHFFFAOYSA-N
XLogP4.24
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide?
The IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide (CID 17424122) is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide.
What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide?
The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide is Cc1ccc(-c2cnc(CCC(=O)Nc3ccccc3O)o2)cc1C.
What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide?
The InChIKey is YJHAOSOHMFQVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13-7-8-15(11-14(13)2)18-12-21-20(25-18)10-9-19(24)22-16-5-3-4-6-17(16)23/h3-8,11-12,23H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide?
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide has a molecular weight of 336.39 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxyphenyl)propanamide is sourced from PubChem (CID 17424122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).