1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

C13H16N6O2 — CID 126945832

IUPAC1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cnn(C2CN(Cc3ccon3)C2)c1
InChIInChI=1S/C13H16N6O2/c20-13-14-2-3-18(13)11-5-15-19(9-11)12-7-17(8-12)6-10-1-4-21-16-10/h1,4-5,9,12H,2-3,6-8H2,(H,14,20)
InChIKeyAUZZYMVHEGTKJM-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.46
Rot. Bonds4

About 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one

1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (PubChem CID 126945832) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
PubChem CID126945832
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
SMILESO=C1NCCN1c1cnn(C2CN(Cc3ccon3)C2)c1
InChIInChI=1S/C13H16N6O2/c20-13-14-2-3-18(13)11-5-15-19(9-11)12-7-17(8-12)6-10-1-4-21-16-10/h1,4-5,9,12H,2-3,6-8H2,(H,14,20)
InChIKeyAUZZYMVHEGTKJM-UHFFFAOYSA-N
XLogP0.46
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945790
1-[1-[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945908
1-[1-[1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945827
1-[1-[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945833
1-[1-[1-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945804
1-[1-[1-[(5-cyclopropyl-1H-pyrazol-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945835
1-[1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945927
7-[[3-[4-(2-oxoimidazolidin-1-yl)pyrazol-1-yl]azetidin-1-yl]methyl]azepan-2-one
CID 126945776
1-[1-[1-(4-methylphthalazin-1-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945768
1-methyl-3-[1-[1-[(2-methylpyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126946149
1-[1-[1-(2-methylquinolin-4-yl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one
CID 126945866
1-[1-[1-[(2-methoxypyrimidin-4-yl)methyl]azetidin-3-yl]pyrazol-4-yl]-3-methylimidazolidin-2-one
CID 126946146

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one (CID 126945832) is 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is O=C1NCCN1c1cnn(C2CN(Cc3ccon3)C2)c1.
What is the InChIKey of 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
The InChIKey is AUZZYMVHEGTKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c20-13-14-2-3-18(13)11-5-15-19(9-11)12-7-17(8-12)6-10-1-4-21-16-10/h1,4-5,9,12H,2-3,6-8H2,(H,14,20).
What are the key properties of 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one?
1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one has a molecular weight of 288.31 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(1,2-oxazol-3-ylmethyl)azetidin-3-yl]pyrazol-4-yl]imidazolidin-2-one is sourced from PubChem (CID 126945832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).