6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile

C18H14N4O3 — CID 122248633

IUPAC6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)Cc3noc4ccccc34)C2)nc1
InChIInChI=1S/C18H14N4O3/c19-8-12-5-6-17(20-9-12)24-13-10-22(11-13)18(23)7-15-14-3-1-2-4-16(14)25-21-15/h1-6,9,13H,7,10-11H2
InChIKeyDREZBAFTQGRNQF-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.93
Rot. Bonds4

About 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile

6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile (PubChem CID 122248633) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
PubChem CID122248633
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CN(C(=O)Cc3noc4ccccc34)C2)nc1
InChIInChI=1S/C18H14N4O3/c19-8-12-5-6-17(20-9-12)24-13-10-22(11-13)18(23)7-15-14-3-1-2-4-16(14)25-21-15/h1-6,9,13H,7,10-11H2
InChIKeyDREZBAFTQGRNQF-UHFFFAOYSA-N
XLogP1.93
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile (CID 122248633) is 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CN(C(=O)Cc3noc4ccccc34)C2)nc1.
What is the InChIKey of 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
The InChIKey is DREZBAFTQGRNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c19-8-12-5-6-17(20-9-12)24-13-10-22(11-13)18(23)7-15-14-3-1-2-4-16(14)25-21-15/h1-6,9,13H,7,10-11H2.
What are the key properties of 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile?
6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile has a molecular weight of 334.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(1,2-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 122248633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).