3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide

C15H14N4O3 — CID 167970633

IUPAC3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide
SMILESO=C1CC(Oc2cccc(C(=O)NCc3cncnc3)c2)N1
InChIInChI=1S/C15H14N4O3/c20-13-5-14(19-13)22-12-3-1-2-11(4-12)15(21)18-8-10-6-16-9-17-7-10/h1-4,6-7,9,14H,5,8H2,(H,18,21)(H,19,20)
InChIKeyLDEDLTCCGPECNH-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.63
Rot. Bonds5

About 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide

3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide (PubChem CID 167970633) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide
PubChem CID167970633
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide
SMILESO=C1CC(Oc2cccc(C(=O)NCc3cncnc3)c2)N1
InChIInChI=1S/C15H14N4O3/c20-13-5-14(19-13)22-12-3-1-2-11(4-12)15(21)18-8-10-6-16-9-17-7-10/h1-4,6-7,9,14H,5,8H2,(H,18,21)(H,19,20)
InChIKeyLDEDLTCCGPECNH-UHFFFAOYSA-N
XLogP0.63
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 4552071
3-cyclohexyloxy-N-(2H-triazol-4-ylmethyl)benzamide
CID 75494574
3-(pyridin-3-ylmethylcarbamoyl)benzoic acid
CID 43452921
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
3-(2-phenoxyethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 17199628
N-(pyridin-3-ylmethyl)-3-[1-(thiophen-3-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42462930
3-[1-(oxolane-3-carbonyl)piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 45214832
3-(2-methoxyethoxy)-N-[(5-methoxy-3-pyridinyl)methyl]benzamide
CID 126826403
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
3-(difluoromethoxy)-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60736173
3-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(pyridin-3-ylmethyl)benzamide
CID 42557626
4-phenoxyazetidin-2-one
CID 14054149

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide?
The IUPAC name of 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide (CID 167970633) is 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide.
What is the SMILES notation for 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide?
The canonical SMILES for 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide is O=C1CC(Oc2cccc(C(=O)NCc3cncnc3)c2)N1.
What is the InChIKey of 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide?
The InChIKey is LDEDLTCCGPECNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-13-5-14(19-13)22-12-3-1-2-11(4-12)15(21)18-8-10-6-16-9-17-7-10/h1-4,6-7,9,14H,5,8H2,(H,18,21)(H,19,20).
What are the key properties of 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide?
3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide has a molecular weight of 298.30 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxoazetidin-2-yl)oxy-N-(pyrimidin-5-ylmethyl)benzamide is sourced from PubChem (CID 167970633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).