N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide

C23H26N2O2 — CID 51070319

IUPACN-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2ccc(C)c(C)c2)on1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H26N2O2/c1-5-12-25(23(26)19-9-6-16(2)7-10-19)15-21-14-22(27-24-21)20-11-8-17(3)18(4)13-20/h6-11,13-14H,5,12,15H2,1-4H3
InChIKeyMOIYSJANVLGMFX-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.32
Rot. Bonds6

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

N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide (PubChem CID 51070319) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide
PubChem CID51070319
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide
SMILESCCCN(Cc1cc(-c2ccc(C)c(C)c2)on1)C(=O)c1ccc(C)cc1
InChIInChI=1S/C23H26N2O2/c1-5-12-25(23(26)19-9-6-16(2)7-10-19)15-21-14-22(27-24-21)20-11-8-17(3)18(4)13-20/h6-11,13-14H,5,12,15H2,1-4H3
InChIKeyMOIYSJANVLGMFX-UHFFFAOYSA-N
XLogP5.32
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propan-2-ylbenzamide
CID 51070040
4-chloro-N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070492
4-methyl-N-(2-methylpropyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070311
N-[[5-(2,5-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-2-methyl-N-propylpropanamide
CID 51070279
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]-N-propylacetamide
CID 42656369
2-[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]acetic acid
CID 28808487
2-chloro-N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 83281968
2-chloro-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-N-propylbenzamide
CID 51070428
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
3-tert-butyl-1-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-1-propylurea
CID 83281969
N-[[5-(2,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 51070364

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide?
The IUPAC name of N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide (CID 51070319) is N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide.
What is the SMILES notation for N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide?
The canonical SMILES for N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide is CCCN(Cc1cc(-c2ccc(C)c(C)c2)on1)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide?
The InChIKey is MOIYSJANVLGMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-5-12-25(23(26)19-9-6-16(2)7-10-19)15-21-14-22(27-24-21)20-11-8-17(3)18(4)13-20/h6-11,13-14H,5,12,15H2,1-4H3.
What are the key properties of N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide?
N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide has a molecular weight of 362.47 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dimethylphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-propylbenzamide is sourced from PubChem (CID 51070319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).