2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

C15H14N4O3 — CID 122249271

IUPAC2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCc1noc(C)c1C(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C15H14N4O3/c1-9-13(10(2)22-18-9)15(20)19-7-12(8-19)21-14-11(6-16)4-3-5-17-14/h3-5,12H,7-8H2,1-2H3
InChIKeyNYYSZJGDVJYSJH-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.46
Rot. Bonds3

About 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile

2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122249271) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122249271
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESCc1noc(C)c1C(=O)N1CC(Oc2ncccc2C#N)C1
InChIInChI=1S/C15H14N4O3/c1-9-13(10(2)22-18-9)15(20)19-7-12(8-19)21-14-11(6-16)4-3-5-17-14/h3-5,12H,7-8H2,1-2H3
InChIKeyNYYSZJGDVJYSJH-UHFFFAOYSA-N
XLogP1.46
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,5-dimethylfuran-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249209
2-[1-(2-methylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249084
ethyl 3-[(3-cyano-2-pyridinyl)oxy]azetidine-1-carboxylate
CID 122249189
2-[1-(furan-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249180
2-[1-(4-tert-butylbenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249089
2-[1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 71799016
2-[1-(5-bromofuran-2-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249181
ethyl 2-[3-[(3-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122249076
3-[(3-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122249279
2-[1-(4-nitrobenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249124
2-[1-(thiophene-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249236
2-[1-(3,4-diethoxybenzoyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249102

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122249271) is 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is Cc1noc(C)c1C(=O)N1CC(Oc2ncccc2C#N)C1.
What is the InChIKey of 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is NYYSZJGDVJYSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-9-13(10(2)22-18-9)15(20)19-7-12(8-19)21-14-11(6-16)4-3-5-17-14/h3-5,12H,7-8H2,1-2H3.
What are the key properties of 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile?
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 298.30 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122249271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).