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

C10H12BrN5O — CID 126901439

IUPAC3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C10H12BrN5O/c1-7-10(14-17-13-7)6-15-4-9(5-15)16-3-8(11)2-12-16/h2-3,9H,4-6H2,1H3
InChIKeyXCRRIRFKGZZZAH-UHFFFAOYSA-N
MW298.14 g/mol
LogP1.39
Rot. Bonds3

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

3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 126901439) has the molecular formula C10H12BrN5O and a molecular weight of 298.14 g/mol. Its IUPAC name is 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID126901439
Molecular FormulaC10H12BrN5O
Molecular Weight298.14 g/mol
Exact Mass297.02
IUPAC Name3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C10H12BrN5O/c1-7-10(14-17-13-7)6-15-4-9(5-15)16-3-8(11)2-12-16/h2-3,9H,4-6H2,1H3
InChIKeyXCRRIRFKGZZZAH-UHFFFAOYSA-N
XLogP1.39
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
CID 126901418
5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole
CID 126901484
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126945129
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
CID 126901486
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
3-[[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126893053
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,3,4-thiadiazole
CID 126901437
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 126901479
6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126901516
3-[[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]methyl]-4,5,6,7-tetrahydro-1H-indazole
CID 126947027

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole (CID 126901439) is 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is Cc1nonc1CN1CC(n2cc(Br)cn2)C1.
What is the InChIKey of 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is XCRRIRFKGZZZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5O/c1-7-10(14-17-13-7)6-15-4-9(5-15)16-3-8(11)2-12-16/h2-3,9H,4-6H2,1H3.
What are the key properties of 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole?
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 298.14 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 126901439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).