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

C21H22N2O3 — CID 17415591

IUPAC3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c(O)c1
InChIInChI=1S/C21H22N2O3/c1-13-4-7-17(18(24)10-13)23-20(25)8-9-21-22-12-19(26-21)16-6-5-14(2)15(3)11-16/h4-7,10-12,24H,8-9H2,1-3H3,(H,23,25)
InChIKeySTUJRLPRVKBJSN-UHFFFAOYSA-N
MW350.42 g/mol
LogP4.54
Rot. Bonds5

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

3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide (PubChem CID 17415591) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
PubChem CID17415591
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c(O)c1
InChIInChI=1S/C21H22N2O3/c1-13-4-7-17(18(24)10-13)23-20(25)8-9-21-22-12-19(26-21)16-6-5-14(2)15(3)11-16/h4-7,10-12,24H,8-9H2,1-3H3,(H,23,25)
InChIKeySTUJRLPRVKBJSN-UHFFFAOYSA-N
XLogP4.54
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.54
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-hydroxy-4-methylphenyl)propanamide?
The IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide (CID 17415591) is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide?
The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)c(O)c1.
What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide?
The InChIKey is STUJRLPRVKBJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-4-7-17(18(24)10-13)23-20(25)8-9-21-22-12-19(26-21)16-6-5-14(2)15(3)11-16/h4-7,10-12,24H,8-9H2,1-3H3,(H,23,25).
What are the key properties of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide?
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-hydroxy-4-methylphenyl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 4.54, 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-hydroxy-4-methylphenyl)propanamide is sourced from PubChem (CID 17415591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).