3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole

C17H31N3O — CID 172601639

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole
SMILESCC.CC(C)c1cnn(C)c1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H12N2.C2H6/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-4-8-9(3)5-7;1-2/h5H,1-4H3;4-6H,1-3H3;1-2H3
InChIKeyMEHFOQQPPBNZEP-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.98
Rot. Bonds2

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole (PubChem CID 172601639) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole
PubChem CID172601639
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole
SMILESCC.CC(C)c1cnn(C)c1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H12N2.C2H6/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-4-8-9(3)5-7;1-2/h5H,1-4H3;4-6H,1-3H3;1-2H3
InChIKeyMEHFOQQPPBNZEP-UHFFFAOYSA-N
XLogP4.98
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-4-amine
CID 57422292
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-methylpentanamide
CID 57944961
(3,5-Dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 53624394
3,5-Dimethyl-4-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 53627306
3,5-Dimethyl-4-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 53627331
(3,5-Dimethyl-1,2-oxazol-4-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56779029
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71865729
4-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-5-ethyl-3-methylisoxazole
CID 50808787
4-{1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]pyrrolidin-2-YL}-3,5-dimethyl-1,2-oxazole
CID 53009604
1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazole-4-carbonyl azide
CID 57422425
N,3,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 32354412
3,5-Dimethyl-4-[[3-(4-methylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2-oxazole
CID 56780734

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole (CID 172601639) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole is CC.CC(C)c1cnn(C)c1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole?
The InChIKey is MEHFOQQPPBNZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H12N2.C2H6/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-4-8-9(3)5-7;1-2/h5H,1-4H3;4-6H,1-3H3;1-2H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole has a molecular weight of 293.46 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;ethane;1-methyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 172601639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).