2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

C21H24N4O3 — CID 110612077

IUPAC2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(-c2nc(CC(=O)N3CCC(c4nnc(C)o4)CC3)c(C)o2)c1
InChIInChI=1S/C21H24N4O3/c1-13-5-4-6-17(11-13)20-22-18(14(2)27-20)12-19(26)25-9-7-16(8-10-25)21-24-23-15(3)28-21/h4-6,11,16H,7-10,12H2,1-3H3
InChIKeyNGYRQKYWCIKITH-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.60
Rot. Bonds4

About 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone

2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 110612077) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID110612077
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
SMILESCc1cccc(-c2nc(CC(=O)N3CCC(c4nnc(C)o4)CC3)c(C)o2)c1
InChIInChI=1S/C21H24N4O3/c1-13-5-4-6-17(11-13)20-22-18(14(2)27-20)12-19(26)25-9-7-16(8-10-25)21-24-23-15(3)28-21/h4-6,11,16H,7-10,12H2,1-3H3
InChIKeyNGYRQKYWCIKITH-UHFFFAOYSA-N
XLogP3.60
TPSA85.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-[2-[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]acetyl]piperidine-4-carboxamide
CID 110673679
1-(4-aminopiperidin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 119374953
2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419597
1-(4-acetylpiperazin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 36708636
1-(4-acetylpiperazin-1-yl)-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 110355555
2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-1-pyrrolidin-1-ylethanone
CID 20860407
2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110371744
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(3-methylpiperidin-1-yl)ethanone
CID 110416327
2-[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]-1-(2-methylmorpholin-4-yl)ethanone
CID 110631395
2-(3-methylphenyl)-1-[4-[5-(4-methyl-1,3-thiazol-5-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 92560617
1-(4-methyl-1,4-diazepan-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 78839371
4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetyl]piperazine-1-carbaldehyde
CID 110371629

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone (CID 110612077) is 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is Cc1cccc(-c2nc(CC(=O)N3CCC(c4nnc(C)o4)CC3)c(C)o2)c1.
What is the InChIKey of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is NGYRQKYWCIKITH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-13-5-4-6-17(11-13)20-22-18(14(2)27-20)12-19(26)25-9-7-16(8-10-25)21-24-23-15(3)28-21/h4-6,11,16H,7-10,12H2,1-3H3.
What are the key properties of 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone?
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110612077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).