2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole

C14H21N3O — CID 126581844

IUPAC2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole
SMILESCC(Cc1cn(C)nc1C(C)(C)C)c1ncco1
InChIInChI=1S/C14H21N3O/c1-10(13-15-6-7-18-13)8-11-9-17(5)16-12(11)14(2,3)4/h6-7,9-10H,8H2,1-5H3
InChIKeyZLWWLAFFIVYUGR-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.05
Rot. Bonds3

About 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole

2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole (PubChem CID 126581844) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole
PubChem CID126581844
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole
SMILESCC(Cc1cn(C)nc1C(C)(C)C)c1ncco1
InChIInChI=1S/C14H21N3O/c1-10(13-15-6-7-18-13)8-11-9-17(5)16-12(11)14(2,3)4/h6-7,9-10H,8H2,1-5H3
InChIKeyZLWWLAFFIVYUGR-UHFFFAOYSA-N
XLogP3.05
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole?
The IUPAC name of 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole (CID 126581844) is 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole.
What is the SMILES notation for 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole?
The canonical SMILES for 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole is CC(Cc1cn(C)nc1C(C)(C)C)c1ncco1.
What is the InChIKey of 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole?
The InChIKey is ZLWWLAFFIVYUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(13-15-6-7-18-13)8-11-9-17(5)16-12(11)14(2,3)4/h6-7,9-10H,8H2,1-5H3.
What are the key properties of 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole?
2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole has a molecular weight of 247.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-tert-butyl-1-methylpyrazol-4-yl)propan-2-yl]-1,3-oxazole is sourced from PubChem (CID 126581844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).