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

C22H24N2O3 — CID 24818971

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)CCc3ccccc3)no2)cc1C
InChIInChI=1S/C22H24N2O3/c1-16-9-10-19(13-17(16)2)26-15-20-14-21(23-27-20)22(25)24(3)12-11-18-7-5-4-6-8-18/h4-10,13-14H,11-12,15H2,1-3H3
InChIKeyQJTNZRLPKZSMHQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.19
Rot. Bonds7

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

5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 24818971) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID24818971
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)CCc3ccccc3)no2)cc1C
InChIInChI=1S/C22H24N2O3/c1-16-9-10-19(13-17(16)2)26-15-20-14-21(23-27-20)22(25)24(3)12-11-18-7-5-4-6-8-18/h4-10,13-14H,11-12,15H2,1-3H3
InChIKeyQJTNZRLPKZSMHQ-UHFFFAOYSA-N
XLogP4.19
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (CID 24818971) is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)N(C)CCc3ccccc3)no2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QJTNZRLPKZSMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-16-9-10-19(13-17(16)2)26-15-20-14-21(23-27-20)22(25)24(3)12-11-18-7-5-4-6-8-18/h4-10,13-14H,11-12,15H2,1-3H3.
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24818971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).