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

C23H39N5O — CID 159482893

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
SMILESCC(C)c1ccnn1C.Cc1cnn(C)c1C(C)C.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H14N2.C8H13NO.C7H12N2/c1-6(2)8-7(3)5-9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-4-5-8-9(7)3/h5-6H,1-4H3;5H,1-4H3;4-6H,1-3H3
InChIKeyLXFLRPJUKPLHHS-UHFFFAOYSA-N
MW401.60 g/mol
LogP5.81
Rot. Bonds3

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

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole (PubChem CID 159482893) has the molecular formula C23H39N5O and a molecular weight of 401.60 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
PubChem CID159482893
Molecular FormulaC23H39N5O
Molecular Weight401.60 g/mol
Exact Mass401.32
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole
SMILESCC(C)c1ccnn1C.Cc1cnn(C)c1C(C)C.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H14N2.C8H13NO.C7H12N2/c1-6(2)8-7(3)5-9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-4-5-8-9(7)3/h5-6H,1-4H3;5H,1-4H3;4-6H,1-3H3
InChIKeyLXFLRPJUKPLHHS-UHFFFAOYSA-N
XLogP5.81
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.60
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole (CID 159482893) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole is CC(C)c1ccnn1C.Cc1cnn(C)c1C(C)C.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole?
The InChIKey is LXFLRPJUKPLHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.C8H13NO.C7H12N2/c1-6(2)8-7(3)5-9-10(8)4;1-5(2)8-6(3)9-10-7(8)4;1-6(2)7-4-5-8-9(7)3/h5-6H,1-4H3;5H,1-4H3;4-6H,1-3H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole has a molecular weight of 401.60 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;1,4-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole is sourced from PubChem (CID 159482893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).