methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one

C15H25N3O3 — CID 144865303

IUPACmethanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one
SMILESCC(C)=O.CO.Cc1cc(Cn2nc(C)c(C)c2C)on1
InChIInChI=1S/C11H15N3O.C3H6O.CH4O/c1-7-5-11(15-13-7)6-14-10(4)8(2)9(3)12-14;1-3(2)4;1-2/h5H,6H2,1-4H3;1-2H3;2H,1H3
InChIKeyVNKUCGARNOZGQM-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.36
Rot. Bonds2

About methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one

methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one (PubChem CID 144865303) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one.

Molecular Properties

Compound Namemethanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one
PubChem CID144865303
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Namemethanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one
SMILESCC(C)=O.CO.Cc1cc(Cn2nc(C)c(C)c2C)on1
InChIInChI=1S/C11H15N3O.C3H6O.CH4O/c1-7-5-11(15-13-7)6-14-10(4)8(2)9(3)12-14;1-3(2)4;1-2/h5H,6H2,1-4H3;1-2H3;2H,1H3
InChIKeyVNKUCGARNOZGQM-UHFFFAOYSA-N
XLogP2.36
TPSA81.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-N,N-dipropylpyrazole-4-sulfonamide
CID 60523767
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-oxopyridazine-3-carboxylic acid
CID 114696002
N-methyl-2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]acetamide
CID 39722176
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793189
2-N-[3,5-dimethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide
CID 118171978
N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62440400
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
CID 47122051
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
6-methyl-2-[(3,4,5-trimethylpyrazol-1-yl)methyl]pyrimidin-4-amine
CID 80654504
5-iodo-6-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidin-4-one
CID 66341320
1-[(3-methyl-1,2-oxazol-5-yl)methyl]triazole-4-carboxylic acid
CID 62060740
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795

Frequently Asked Questions

What is the IUPAC name of methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one?
The IUPAC name of methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one (CID 144865303) is methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one.
What is the SMILES notation for methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one?
The canonical SMILES for methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one is CC(C)=O.CO.Cc1cc(Cn2nc(C)c(C)c2C)on1.
What is the InChIKey of methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one?
The InChIKey is VNKUCGARNOZGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.C3H6O.CH4O/c1-7-5-11(15-13-7)6-14-10(4)8(2)9(3)12-14;1-3(2)4;1-2/h5H,6H2,1-4H3;1-2H3;2H,1H3.
What are the key properties of methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one?
methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one has a molecular weight of 295.38 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,2-oxazole;propan-2-one is sourced from PubChem (CID 144865303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).