2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole

C19H27N3O2 — CID 95217240

IUPAC2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCNC[C@@H]3C)c(C)o2)c(C)c1C
InChIInChI=1S/C19H27N3O2/c1-12-10-20-8-9-22(12)11-17-15(4)24-19(21-17)16-6-7-18(23-5)14(3)13(16)2/h6-7,12,20H,8-11H2,1-5H3/t12-/m0/s1
InChIKeyRAJCYFLMJIWLEE-LBPRGKRZSA-N
MW329.44 g/mol
LogP3.07
Rot. Bonds4

About 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole

2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 95217240) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
PubChem CID95217240
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(CN3CCNC[C@@H]3C)c(C)o2)c(C)c1C
InChIInChI=1S/C19H27N3O2/c1-12-10-20-8-9-22(12)11-17-15(4)24-19(21-17)16-6-7-18(23-5)14(3)13(16)2/h6-7,12,20H,8-11H2,1-5H3/t12-/m0/s1
InChIKeyRAJCYFLMJIWLEE-LBPRGKRZSA-N
XLogP3.07
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 29257296
4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholine
CID 56877513
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215
5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-2-(4-methylsulfanylphenyl)-1,3-oxazole
CID 95221363
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42518336
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole
CID 56739679
2-(4-methoxynaphthalen-1-yl)-5-methyl-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56739301
2-(2-methoxyphenyl)-5-methyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 46344229
2-(3,4-dimethoxyphenyl)-4-[[(2S,5R)-2,5-dimethylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56753626
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylpiperazine;dihydrochloride
CID 119916634
1-[(4-fluorophenyl)methyl]-4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25459491
N-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-prop-2-enylprop-2-en-1-amine
CID 42384814

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole (CID 95217240) is 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole is COc1ccc(-c2nc(CN3CCNC[C@@H]3C)c(C)o2)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is RAJCYFLMJIWLEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-12-10-20-8-9-22(12)11-17-15(4)24-19(21-17)16-6-7-18(23-5)14(3)13(16)2/h6-7,12,20H,8-11H2,1-5H3/t12-/m0/s1.
What are the key properties of 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole?
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 329.44 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 95217240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).