2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole

C18H25N3O2 — CID 56754112

IUPAC2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESCOc1cc(C)c(-c2nc(CN3CCNCC3)c(C)o2)cc1C
InChIInChI=1S/C18H25N3O2/c1-12-10-17(22-4)13(2)9-15(12)18-20-16(14(3)23-18)11-21-7-5-19-6-8-21/h9-10,19H,5-8,11H2,1-4H3
InChIKeyQJJBKBRELMEUEI-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole

2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole (PubChem CID 56754112) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
PubChem CID56754112
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
SMILESCOc1cc(C)c(-c2nc(CN3CCNCC3)c(C)o2)cc1C
InChIInChI=1S/C18H25N3O2/c1-12-10-17(22-4)13(2)9-15(12)18-20-16(14(3)23-18)11-21-7-5-19-6-8-21/h9-10,19H,5-8,11H2,1-4H3
InChIKeyQJJBKBRELMEUEI-UHFFFAOYSA-N
XLogP2.68
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
(3S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-ol
CID 95210795
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazole
CID 42199005
(3R)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 95200379
methyl (2S)-1-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42345389
4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 56877513
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56739301
N-[[2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-methyloxolan-3-amine
CID 45228461
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95217240
4-(hydroxymethyl)-1-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-ol
CID 56864778
2-(4-methoxy-2,3-dimethylphenyl)-4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56873656
1-[(2-chloro-5-methoxy-4-methylphenyl)methyl]piperazine
CID 117390256

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The IUPAC name of 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole (CID 56754112) is 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The canonical SMILES for 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole is COc1cc(C)c(-c2nc(CN3CCNCC3)c(C)o2)cc1C.
What is the InChIKey of 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
The InChIKey is QJJBKBRELMEUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-10-17(22-4)13(2)9-15(12)18-20-16(14(3)23-18)11-21-7-5-19-6-8-21/h9-10,19H,5-8,11H2,1-4H3.
What are the key properties of 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole?
2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole has a molecular weight of 315.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,5-dimethylphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole is sourced from PubChem (CID 56754112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).