2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole

C18H20N4O — CID 56781724

IUPAC2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESCc1cc(C)n(C2CN(Cc3ncc(-c4ccccc4)o3)C2)n1
InChIInChI=1S/C18H20N4O/c1-13-8-14(2)22(20-13)16-10-21(11-16)12-18-19-9-17(23-18)15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3
InChIKeyFHMIXDDBRGFALE-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.21
Rot. Bonds4

About 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole

2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole (PubChem CID 56781724) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
PubChem CID56781724
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole
SMILESCc1cc(C)n(C2CN(Cc3ncc(-c4ccccc4)o3)C2)n1
InChIInChI=1S/C18H20N4O/c1-13-8-14(2)22(20-13)16-10-21(11-16)12-18-19-9-17(23-18)15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3
InChIKeyFHMIXDDBRGFALE-UHFFFAOYSA-N
XLogP3.21
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The IUPAC name of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole (CID 56781724) is 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole is Cc1cc(C)n(C2CN(Cc3ncc(-c4ccccc4)o3)C2)n1.
What is the InChIKey of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
The InChIKey is FHMIXDDBRGFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-13-8-14(2)22(20-13)16-10-21(11-16)12-18-19-9-17(23-18)15-6-4-3-5-7-15/h3-9,16H,10-12H2,1-2H3.
What are the key properties of 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole?
2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole has a molecular weight of 308.38 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-5-phenyl-1,3-oxazole is sourced from PubChem (CID 56781724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).