3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole

C18H31N3O — CID 158039410

IUPAC3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C9H16N2.C9H15NO/c1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h5-8H,1-4H3;5-7H,1-4H3
InChIKeyFIDYRKVWLDVGIA-UHFFFAOYSA-N
MW305.47 g/mol
LogP5.51
Rot. Bonds4

About 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole

3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole (PubChem CID 158039410) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole
PubChem CID158039410
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole
SMILESCC(C)c1cc(C(C)C)on1.CC(C)c1cnn(C(C)C)c1
InChIInChI=1S/C9H16N2.C9H15NO/c1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h5-8H,1-4H3;5-7H,1-4H3
InChIKeyFIDYRKVWLDVGIA-UHFFFAOYSA-N
XLogP5.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.47
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-[1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]pyrazol-1-yl]ethanol
CID 51104599
5-Methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 53608783
3-Methyl-5-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 53608942
5-Methyl-3-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 53626958
3,5-Dimethyl-4-[[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2-oxazole
CID 53627331
(3-Ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 56779180
(3-Methyl-5-propan-2-yl-1,2-oxazol-4-yl)-(4-pyrazol-1-ylpiperidin-1-yl)methanone
CID 75461800
5-propan-2-yl-3-(pyrazol-1-ylmethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine
CID 97405679
3-[1-[(1,3-Dimethylpyrazol-4-yl)methyl]azepan-2-yl]-5-methyl-1,2-oxazole
CID 110226118
4-{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidinyl}-5-ethyl-3-methylisoxazole
CID 50808787
5-[1-[(1,3-Dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53009602
3-{1-[(1,3-Dimethyl-1H-pyrazol-4-YL)methyl]-2-pyrrolidinyl}-5-methylisoxazole
CID 53009603

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole?
The IUPAC name of 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole (CID 158039410) is 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole.
What is the SMILES notation for 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole?
The canonical SMILES for 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole is CC(C)c1cc(C(C)C)on1.CC(C)c1cnn(C(C)C)c1.
What is the InChIKey of 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole?
The InChIKey is FIDYRKVWLDVGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.C9H15NO/c1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-5-9(7(3)4)11-10-8/h5-8H,1-4H3;5-7H,1-4H3.
What are the key properties of 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole?
3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole has a molecular weight of 305.47 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1,2-oxazole;1,4-di(propan-2-yl)pyrazole is sourced from PubChem (CID 158039410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).