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

C15H25N3O — CID 159263204

IUPAC3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole
SMILESCc1ccn(C(C)C)n1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H12N2/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)9-5-4-7(3)8-9/h5H,1-4H3;4-6H,1-3H3
InChIKeyKWTQCHMTCOHTRM-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.19
Rot. Bonds2

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

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole (PubChem CID 159263204) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole
PubChem CID159263204
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole
SMILESCc1ccn(C(C)C)n1.Cc1noc(C)c1C(C)C
InChIInChI=1S/C8H13NO.C7H12N2/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)9-5-4-7(3)8-9/h5H,1-4H3;4-6H,1-3H3
InChIKeyKWTQCHMTCOHTRM-UHFFFAOYSA-N
XLogP4.19
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole?
The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole (CID 159263204) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole?
The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole is Cc1ccn(C(C)C)n1.Cc1noc(C)c1C(C)C.
What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole?
The InChIKey is KWTQCHMTCOHTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H12N2/c1-5(2)8-6(3)9-10-7(8)4;1-6(2)9-5-4-7(3)8-9/h5H,1-4H3;4-6H,1-3H3.
What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole?
3,5-dimethyl-4-propan-2-yl-1,2-oxazole;3-methyl-1-propan-2-ylpyrazole has a molecular weight of 263.38 g/mol, XLogP of 4.19, 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;3-methyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 159263204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).