2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole

C11H14N4O — CID 126900310

IUPAC2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CC(n3cccn3)C2)co1
InChIInChI=1S/C11H14N4O/c1-9-13-10(8-16-9)5-14-6-11(7-14)15-4-2-3-12-15/h2-4,8,11H,5-7H2,1H3
InChIKeyDJAOGNDODNJZGH-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole

2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole (PubChem CID 126900310) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
PubChem CID126900310
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CC(n3cccn3)C2)co1
InChIInChI=1S/C11H14N4O/c1-9-13-10(8-16-9)5-14-6-11(7-14)15-4-2-3-12-15/h2-4,8,11H,5-7H2,1H3
InChIKeyDJAOGNDODNJZGH-UHFFFAOYSA-N
XLogP1.24
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]triazole
CID 126900246
1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-ol
CID 130996437
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine
CID 126900260
2-cyclopropyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-thiazole
CID 126900196
4-[[4-[(3,5-difluorophenyl)methyl]-3-methylpiperazin-1-yl]methyl]-2-methyl-1,3-oxazole
CID 163350274
(6R)-4-[(2-methyl-1,3-oxazol-4-yl)methyl]-6-(pyrimidin-2-ylmethyl)-1,4-oxazepane
CID 124954668
5-cyclopropyl-3-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 56781190
2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
CID 126900257
[(3R,4R)-1-[(2-methyl-1,3-oxazol-4-yl)methyl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70782105
2-methyl-4-[[5-[3-(trifluoromethyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 155974323
5-cyclopropyl-2-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole
CID 126900314
2-methyl-4-[[5-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-1,3-oxazole
CID 126931815

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole (CID 126900310) is 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole is Cc1nc(CN2CC(n3cccn3)C2)co1.
What is the InChIKey of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
The InChIKey is DJAOGNDODNJZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-9-13-10(8-16-9)5-14-6-11(7-14)15-4-2-3-12-15/h2-4,8,11H,5-7H2,1H3.
What are the key properties of 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole?
2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole has a molecular weight of 218.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3-pyrazol-1-ylazetidin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 126900310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).