5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide

C23H26N2O3 — CID 19488286

IUPAC5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1noc(C)c1COc1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C23H26N2O3/c1-5-21(18-11-9-15(2)10-12-18)24-23(26)22-20(17(4)28-25-22)14-27-19-8-6-7-16(3)13-19/h6-13,21H,5,14H2,1-4H3,(H,24,26)
InChIKeyRWYZBPIOGXGVCO-UHFFFAOYSA-N
MW378.47 g/mol
LogP5.06
Rot. Bonds7

About 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide

5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide (PubChem CID 19488286) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
PubChem CID19488286
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1noc(C)c1COc1cccc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C23H26N2O3/c1-5-21(18-11-9-15(2)10-12-18)24-23(26)22-20(17(4)28-25-22)14-27-19-8-6-7-16(3)13-19/h6-13,21H,5,14H2,1-4H3,(H,24,26)
InChIKeyRWYZBPIOGXGVCO-UHFFFAOYSA-N
XLogP5.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chlorophenoxy)methyl]-5-methyl-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide
CID 19443999
4-[(3-fluorophenoxy)methyl]-5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 19492599
N-(4-ethylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488250
N-(4-acetylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488246
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[1-(4-methylphenyl)propyl]acetamide
CID 112766082
N-[1-(4-methoxyphenyl)ethyl]-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488573
N-(3-fluoro-4-methylphenyl)-5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488236
4-[(3-fluorophenoxy)methyl]-N-[1-(4-methoxyphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492576
N-[1-(4-tert-butylphenyl)ethyl]-4-[(3-fluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19492614
methyl 5-methyl-2-[[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19488295
N-(2,6-dimethylphenyl)-5-methyl-4-[(4-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19488534
azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 19488187

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide (CID 19488286) is 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide is CCC(NC(=O)c1noc(C)c1COc1cccc(C)c1)c1ccc(C)cc1.
What is the InChIKey of 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide?
The InChIKey is RWYZBPIOGXGVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-21(18-11-9-15(2)10-12-18)24-23(26)22-20(17(4)28-25-22)14-27-19-8-6-7-16(3)13-19/h6-13,21H,5,14H2,1-4H3,(H,24,26).
What are the key properties of 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide?
5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methylphenoxy)methyl]-N-[1-(4-methylphenyl)propyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19488286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).