[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone

C13H13BrN4O2 — CID 126901183

IUPAC[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C13H13BrN4O2/c14-9-4-15-18(5-9)10-6-17(7-10)13(19)11-3-12(20-16-11)8-1-2-8/h3-5,8,10H,1-2,6-7H2
InChIKeyOEGQUMIMIDIUTF-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.21
Rot. Bonds3

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

[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (PubChem CID 126901183) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
PubChem CID126901183
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone
SMILESO=C(c1cc(C2CC2)on1)N1CC(n2cc(Br)cn2)C1
InChIInChI=1S/C13H13BrN4O2/c14-9-4-15-18(5-9)10-6-17(7-10)13(19)11-3-12(20-16-11)8-1-2-8/h3-5,8,10H,1-2,6-7H2
InChIKeyOEGQUMIMIDIUTF-UHFFFAOYSA-N
XLogP2.21
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]methanone
CID 126947170
1-[1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126945960
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1H-pyrazol-3-yl)methanone
CID 126901258
(5-cyclopropyl-1,2-oxazol-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63104546
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 126901167
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 126901159
(5-cyclopropyl-1,2-oxazol-3-yl)-[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]methanone
CID 121153393
1-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]triazole-4-carboxylic acid
CID 154744231
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208217
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
3-(4-bromopyrazol-1-yl)-N-(oxan-4-yl)azetidine-1-carboxamide
CID 126901204
[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)methanone
CID 126946755

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone (CID 126901183) is [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is O=C(c1cc(C2CC2)on1)N1CC(n2cc(Br)cn2)C1.
What is the InChIKey of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
The InChIKey is OEGQUMIMIDIUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c14-9-4-15-18(5-9)10-6-17(7-10)13(19)11-3-12(20-16-11)8-1-2-8/h3-5,8,10H,1-2,6-7H2.
What are the key properties of [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone?
[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone has a molecular weight of 337.18 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromopyrazol-1-yl)azetidin-1-yl]-(5-cyclopropyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 126901183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).