3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole

C16H25N3O — CID 156528572

IUPAC3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C(C)(C)CCC(C)(C)c2cnn(C)c2)no1
InChIInChI=1S/C16H25N3O/c1-12-9-14(18-20-12)16(4,5)8-7-15(2,3)13-10-17-19(6)11-13/h9-11H,7-8H2,1-6H3
InChIKeyATNOSTWJVIRPKF-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.75
Rot. Bonds5

About 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole

3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole (PubChem CID 156528572) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole
PubChem CID156528572
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole
SMILESCc1cc(C(C)(C)CCC(C)(C)c2cnn(C)c2)no1
InChIInChI=1S/C16H25N3O/c1-12-9-14(18-20-12)16(4,5)8-7-15(2,3)13-10-17-19(6)11-13/h9-11H,7-8H2,1-6H3
InChIKeyATNOSTWJVIRPKF-UHFFFAOYSA-N
XLogP3.75
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole (CID 156528572) is 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole is Cc1cc(C(C)(C)CCC(C)(C)c2cnn(C)c2)no1.
What is the InChIKey of 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole?
The InChIKey is ATNOSTWJVIRPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-9-14(18-20-12)16(4,5)8-7-15(2,3)13-10-17-19(6)11-13/h9-11H,7-8H2,1-6H3.
What are the key properties of 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole?
3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole has a molecular weight of 275.40 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dimethyl-5-(1-methylpyrazol-4-yl)hexan-2-yl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 156528572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).