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

C12H15BrN4O — CID 126901484

IUPAC5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCN2CC(n3cc(Br)cn3)C2)on1
InChIInChI=1S/C12H15BrN4O/c1-9-4-12(18-15-9)2-3-16-7-11(8-16)17-6-10(13)5-14-17/h4-6,11H,2-3,7-8H2,1H3
InChIKeyIDHUASFTFFUORI-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.04
Rot. Bonds4

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

5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole (PubChem CID 126901484) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole
PubChem CID126901484
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC Name5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCN2CC(n3cc(Br)cn3)C2)on1
InChIInChI=1S/C12H15BrN4O/c1-9-4-12(18-15-9)2-3-16-7-11(8-16)17-6-10(13)5-14-17/h4-6,11H,2-3,7-8H2,1H3
InChIKeyIDHUASFTFFUORI-UHFFFAOYSA-N
XLogP2.04
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 126901329
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 126901439
2-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-methylpyrazine
CID 126901418
1-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]piperidine
CID 126901314
(3R,4S)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3,4-diol
CID 115278409
4-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-5-cyclopropyl-1,2-oxazole
CID 126901486
3-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126945129
6-[[3-(4-bromopyrazol-1-yl)azetidin-1-yl]methyl]-4-methylmorpholin-3-one
CID 126901516
6-methyl-2-[[1-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927103
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126901538
4-methyl-1-[1-[(Z)-4-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]but-2-enyl]azetidin-3-yl]pyrazole
CID 98507020
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2-oxazole
CID 171326405

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole (CID 126901484) is 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole is Cc1cc(CCN2CC(n3cc(Br)cn3)C2)on1.
What is the InChIKey of 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole?
The InChIKey is IDHUASFTFFUORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-9-4-12(18-15-9)2-3-16-7-11(8-16)17-6-10(13)5-14-17/h4-6,11H,2-3,7-8H2,1H3.
What are the key properties of 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole?
5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole has a molecular weight of 311.18 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]ethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 126901484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).