7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one

C13H12N6O3 — CID 166337266

IUPAC7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCc1noc(C2CN(C(=O)c3cc4nccn4c(=O)[nH]3)C2)n1
InChIInChI=1S/C13H12N6O3/c1-7-15-11(22-17-7)8-5-18(6-8)12(20)9-4-10-14-2-3-19(10)13(21)16-9/h2-4,8H,5-6H2,1H3,(H,16,21)
InChIKeyMZQJNIONMYWGMC-UHFFFAOYSA-N
MW300.28 g/mol
LogP-0.05
Rot. Bonds2

About 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one

7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 166337266) has the molecular formula C13H12N6O3 and a molecular weight of 300.28 g/mol. Its IUPAC name is 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID166337266
Molecular FormulaC13H12N6O3
Molecular Weight300.28 g/mol
Exact Mass300.10
IUPAC Name7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESCc1noc(C2CN(C(=O)c3cc4nccn4c(=O)[nH]3)C2)n1
InChIInChI=1S/C13H12N6O3/c1-7-15-11(22-17-7)8-5-18(6-8)12(20)9-4-10-14-2-3-19(10)13(21)16-9/h2-4,8H,5-6H2,1H3,(H,16,21)
InChIKeyMZQJNIONMYWGMC-UHFFFAOYSA-N
XLogP-0.05
TPSA109.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one (CID 166337266) is 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one is Cc1noc(C2CN(C(=O)c3cc4nccn4c(=O)[nH]3)C2)n1.
What is the InChIKey of 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is MZQJNIONMYWGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N6O3/c1-7-15-11(22-17-7)8-5-18(6-8)12(20)9-4-10-14-2-3-19(10)13(21)16-9/h2-4,8H,5-6H2,1H3,(H,16,21).
What are the key properties of 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one?
7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 300.28 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidine-1-carbonyl]-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 166337266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).