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

C18H21N3O2 — CID 56739679

IUPAC2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3cc(C)cn3)c(C)o2)c(C)c1C
InChIInChI=1S/C18H21N3O2/c1-11-8-19-21(9-11)10-16-14(4)23-18(20-16)15-6-7-17(22-5)13(3)12(15)2/h6-9H,10H2,1-5H3
InChIKeyGOBLICXYAJXODX-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.83
Rot. Bonds4

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

2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole (PubChem CID 56739679) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole
PubChem CID56739679
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole
SMILESCOc1ccc(-c2nc(Cn3cc(C)cn3)c(C)o2)c(C)c1C
InChIInChI=1S/C18H21N3O2/c1-11-8-19-21(9-11)10-16-14(4)23-18(20-16)15-6-7-17(22-5)13(3)12(15)2/h6-9H,10H2,1-5H3
InChIKeyGOBLICXYAJXODX-UHFFFAOYSA-N
XLogP3.83
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 56873656
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,3-oxazole
CID 29257296
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazole
CID 42518336
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)-5-methyl-4-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-oxazole
CID 95217240
[4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]morpholin-2-yl]methanamine;hydrochloride
CID 154888895
2-(4-methoxy-2,3-dimethylphenyl)-4-[[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 26391215
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
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole
CID 56757332
2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-4-[(2-propan-2-ylimidazol-1-yl)methyl]-1,3-oxazole
CID 56738740
1-[(4-fluorophenyl)methyl]-4-[[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazin-2-one
CID 25459491

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole (CID 56739679) is 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole is COc1ccc(-c2nc(Cn3cc(C)cn3)c(C)o2)c(C)c1C.
What is the InChIKey of 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole?
The InChIKey is GOBLICXYAJXODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-11-8-19-21(9-11)10-16-14(4)23-18(20-16)15-6-7-17(22-5)13(3)12(15)2/h6-9H,10H2,1-5H3.
What are the key properties of 2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole?
2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-4-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole has a molecular weight of 311.39 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 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-[(4-methylpyrazol-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 56739679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).