5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide

C22H24N2O3 — CID 24817239

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCC(C)c3ccccc3)no2)cc1C
InChIInChI=1S/C22H24N2O3/c1-15-9-10-19(11-16(15)2)26-14-20-12-21(24-27-20)22(25)23-13-17(3)18-7-5-4-6-8-18/h4-12,17H,13-14H2,1-3H3,(H,23,25)
InChIKeyFRWYGLRPIPRUJB-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.40
Rot. Bonds7

About 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide

5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 24817239) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID24817239
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCC(C)c3ccccc3)no2)cc1C
InChIInChI=1S/C22H24N2O3/c1-15-9-10-19(11-16(15)2)26-14-20-12-21(24-27-20)22(25)23-13-17(3)18-7-5-4-6-8-18/h4-12,17H,13-14H2,1-3H3,(H,23,25)
InChIKeyFRWYGLRPIPRUJB-UHFFFAOYSA-N
XLogP4.40
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 24817239) is 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NCC(C)c3ccccc3)no2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FRWYGLRPIPRUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-9-10-19(11-16(15)2)26-14-20-12-21(24-27-20)22(25)23-13-17(3)18-7-5-4-6-8-18/h4-12,17H,13-14H2,1-3H3,(H,23,25).
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).