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

C21H29N3O2 — CID 110620548

IUPAC2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCC(C)N3CCCCC3)c(C)o2)c1
InChIInChI=1S/C21H29N3O2/c1-15-8-7-9-18(12-15)21-23-19(17(3)26-21)13-20(25)22-14-16(2)24-10-5-4-6-11-24/h7-9,12,16H,4-6,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyGYAIMWLIVVPRFJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.49
Rot. Bonds6

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

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide (PubChem CID 110620548) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
PubChem CID110620548
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
SMILESCc1cccc(-c2nc(CC(=O)NCC(C)N3CCCCC3)c(C)o2)c1
InChIInChI=1S/C21H29N3O2/c1-15-8-7-9-18(12-15)21-23-19(17(3)26-21)13-20(25)22-14-16(2)24-10-5-4-6-11-24/h7-9,12,16H,4-6,10-11,13-14H2,1-3H3,(H,22,25)
InChIKeyGYAIMWLIVVPRFJ-UHFFFAOYSA-N
XLogP3.49
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyrrolidin-1-ylpropyl)acetamide
CID 110353186
2-[2-(1,3-benzodioxol-5-yl)-5-methyl-1,3-oxazol-4-yl]-N-(2-pyrrolidin-1-ylpropyl)acetamide
CID 110620524
2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-[2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 110620662
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 69179392
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-[[1-(2-methylpropyl)piperidin-4-yl]methyl]acetamide
CID 110630113
2-[(3-methylphenyl)methyl]-3-[[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]amino]propanoic acid
CID 119243082
N-[(3,4-dimethoxyphenyl)methyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110412887
2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-1-pyrrolidin-1-ylethanone
CID 20860407
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 110425209
N-butan-2-yl-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 20860291
N-[2-(3-methoxyphenyl)ethyl]-2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110411406
N-(4-hydroxy-2-methylpentyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 111447499

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide (CID 110620548) is 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide is Cc1cccc(-c2nc(CC(=O)NCC(C)N3CCCCC3)c(C)o2)c1.
What is the InChIKey of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide?
The InChIKey is GYAIMWLIVVPRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-8-7-9-18(12-15)21-23-19(17(3)26-21)13-20(25)22-14-16(2)24-10-5-4-6-11-24/h7-9,12,16H,4-6,10-11,13-14H2,1-3H3,(H,22,25).
What are the key properties of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide?
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide has a molecular weight of 355.48 g/mol, XLogP of 3.49, 6 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-(2-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 110620548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).