4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole

C13H15BrN4O — CID 126901486

IUPAC4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
SMILESBrc1cnn(C2CN(Cc3cnoc3C3CC3)C2)c1
InChIInChI=1S/C13H15BrN4O/c14-11-4-15-18(6-11)12-7-17(8-12)5-10-3-16-19-13(10)9-1-2-9/h3-4,6,9,12H,1-2,5,7-8H2
InChIKeyHXQRYQWBGZAZCO-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.57
Rot. Bonds4

About 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole

4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole (PubChem CID 126901486) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
PubChem CID126901486
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
SMILESBrc1cnn(C2CN(Cc3cnoc3C3CC3)C2)c1
InChIInChI=1S/C13H15BrN4O/c14-11-4-15-18(6-11)12-7-17(8-12)5-10-3-16-19-13(10)9-1-2-9/h3-4,6,9,12H,1-2,5,7-8H2
InChIKeyHXQRYQWBGZAZCO-UHFFFAOYSA-N
XLogP2.57
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The IUPAC name of 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole (CID 126901486) is 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole.
What is the SMILES notation for 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The canonical SMILES for 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole is Brc1cnn(C2CN(Cc3cnoc3C3CC3)C2)c1.
What is the InChIKey of 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
The InChIKey is HXQRYQWBGZAZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c14-11-4-15-18(6-11)12-7-17(8-12)5-10-3-16-19-13(10)9-1-2-9/h3-4,6,9,12H,1-2,5,7-8H2.
What are the key properties of 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole?
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole has a molecular weight of 323.19 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole is sourced from PubChem (CID 126901486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).