2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide

C23H33N3O2 — CID 110630113

IUPAC2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCC3CCN(CC(C)C)CC3)c(C)o2)c1
InChIInChI=1S/C23H33N3O2/c1-16(2)15-26-10-8-19(9-11-26)14-24-22(27)13-21-18(4)28-23(25-21)20-7-5-6-17(3)12-20/h5-7,12,16,19H,8-11,13-15H2,1-4H3,(H,24,27)
InChIKeyCCYPVWTXIYQBAW-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.99
Rot. Bonds7

About 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide (PubChem CID 110630113) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
PubChem CID110630113
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCC3CCN(CC(C)C)CC3)c(C)o2)c1
InChIInChI=1S/C23H33N3O2/c1-16(2)15-26-10-8-19(9-11-26)14-24-22(27)13-21-18(4)28-23(25-21)20-7-5-6-17(3)12-20/h5-7,12,16,19H,8-11,13-15H2,1-4H3,(H,24,27)
InChIKeyCCYPVWTXIYQBAW-UHFFFAOYSA-N
XLogP3.99
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
CID 110620548
N-(cyclopentylmethyl)-2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110627528
N-[3-(1,1-dioxothiolan-3-yl)propyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110419474
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 110620662
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyrrolidin-1-ylpropyl)acetamide
CID 110353186
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
CID 162740997
N-(2-ethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422110
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612676
N-(2,4-dimethoxyphenyl)-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110422962
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 110425209

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide (CID 110630113) is 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide is Cc1cccc(-c2nc(CC(=O)NCC3CCN(CC(C)C)CC3)c(C)o2)c1.
What is the InChIKey of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is CCYPVWTXIYQBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-16(2)15-26-10-8-19(9-11-26)14-24-22(27)13-21-18(4)28-23(25-21)20-7-5-6-17(3)12-20/h5-7,12,16,19H,8-11,13-15H2,1-4H3,(H,24,27).
What are the key properties of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide?
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 383.54 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 110630113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).