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

C14H12N4O3 — CID 122252525

IUPAC2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCc1oncc1C(=O)N1CC(Oc2cc(C#N)ccn2)C1
InChIInChI=1S/C14H12N4O3/c1-9-12(6-17-21-9)14(19)18-7-11(8-18)20-13-4-10(5-15)2-3-16-13/h2-4,6,11H,7-8H2,1H3
InChIKeyGCURHTFGRMPKJF-UHFFFAOYSA-N
MW284.27 g/mol
LogP1.15
Rot. Bonds3

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

2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252525) has the molecular formula C14H12N4O3 and a molecular weight of 284.27 g/mol. Its IUPAC name is 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252525
Molecular FormulaC14H12N4O3
Molecular Weight284.27 g/mol
Exact Mass284.09
IUPAC Name2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESCc1oncc1C(=O)N1CC(Oc2cc(C#N)ccn2)C1
InChIInChI=1S/C14H12N4O3/c1-9-12(6-17-21-9)14(19)18-7-11(8-18)20-13-4-10(5-15)2-3-16-13/h2-4,6,11H,7-8H2,1H3
InChIKeyGCURHTFGRMPKJF-UHFFFAOYSA-N
XLogP1.15
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252429
2-[1-(2,4-difluorobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252403
2-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252256
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
2-[1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252219
2-[1-(morpholine-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252598
3-[(4-cyano-2-pyridinyl)oxy]-N-(4-methylphenyl)azetidine-1-carboxamide
CID 122252547
2-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252515
2-[1-(4-methyl-3-nitrobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252323
2-[1-(8-methoxy-2-oxochromene-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252443

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252525) is 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is Cc1oncc1C(=O)N1CC(Oc2cc(C#N)ccn2)C1.
What is the InChIKey of 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is GCURHTFGRMPKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-12(6-17-21-9)14(19)18-7-11(8-18)20-13-4-10(5-15)2-3-16-13/h2-4,6,11H,7-8H2,1H3.
What are the key properties of 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 284.27 g/mol, XLogP of 1.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-1,2-oxazole-4-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).