4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole

C16H23N3O — CID 167816668

IUPAC4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole
SMILESCc1noc(C(C)C)c1Cn1ccc(C2CCCC2)n1
InChIInChI=1S/C16H23N3O/c1-11(2)16-14(12(3)18-20-16)10-19-9-8-15(17-19)13-6-4-5-7-13/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyFGGNQMMBZDRUDZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.01
Rot. Bonds4

About 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole

4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole (PubChem CID 167816668) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole
PubChem CID167816668
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole
SMILESCc1noc(C(C)C)c1Cn1ccc(C2CCCC2)n1
InChIInChI=1S/C16H23N3O/c1-11(2)16-14(12(3)18-20-16)10-19-9-8-15(17-19)13-6-4-5-7-13/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyFGGNQMMBZDRUDZ-UHFFFAOYSA-N
XLogP4.01
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole?
The IUPAC name of 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole (CID 167816668) is 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole?
The canonical SMILES for 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole is Cc1noc(C(C)C)c1Cn1ccc(C2CCCC2)n1.
What is the InChIKey of 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole?
The InChIKey is FGGNQMMBZDRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)16-14(12(3)18-20-16)10-19-9-8-15(17-19)13-6-4-5-7-13/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole?
4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole has a molecular weight of 273.38 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclopentylpyrazol-1-yl)methyl]-3-methyl-5-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 167816668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).