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

C23H16N4O3 — CID 122252500

IUPAC2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)c1
InChIInChI=1S/C23H16N4O3/c24-12-15-8-9-25-21(10-15)29-18-13-27(14-18)23(28)17-6-7-20-19(11-17)22(30-26-20)16-4-2-1-3-5-16/h1-11,18H,13-14H2
InChIKeyRNCKZEYBSPQTBT-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.66
Rot. Bonds4

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

2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (PubChem CID 122252500) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
PubChem CID122252500
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
SMILESN#Cc1ccnc(OC2CN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)c1
InChIInChI=1S/C23H16N4O3/c24-12-15-8-9-25-21(10-15)29-18-13-27(14-18)23(28)17-6-7-20-19(11-17)22(30-26-20)16-4-2-1-3-5-16/h1-11,18H,13-14H2
InChIKeyRNCKZEYBSPQTBT-UHFFFAOYSA-N
XLogP3.66
TPSA92.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-bromobenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252310
2-[(3S)-1-benzoylpiperidin-3-yl]oxypyridine-4-carbonitrile
CID 122516236
methyl 4-[3-[(4-cyano-2-pyridinyl)oxy]azetidine-1-carbonyl]benzoate
CID 122252236
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 51923600
(3-phenyl-2,1-benzoxazol-5-yl)-[3-(pyrimidin-2-ylamino)azetidin-1-yl]methanone
CID 121187438
2-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252429
2-[1-(4-ethoxybenzoyl)azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252291
[3-(6-methoxypyrazin-2-yl)oxypyrrolidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 90637498
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
2-[1-[2-(4-phenylphenoxy)acetyl]azetidin-3-yl]oxypyridine-4-carbonitrile
CID 122252488
N-[2-[3-[(4-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]benzamide
CID 122252200
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 122258492

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The IUPAC name of 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile (CID 122252500) is 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile.
What is the SMILES notation for 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The canonical SMILES for 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is N#Cc1ccnc(OC2CN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)C2)c1.
What is the InChIKey of 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
The InChIKey is RNCKZEYBSPQTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c24-12-15-8-9-25-21(10-15)29-18-13-27(14-18)23(28)17-6-7-20-19(11-17)22(30-26-20)16-4-2-1-3-5-16/h1-11,18H,13-14H2.
What are the key properties of 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile?
2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile has a molecular weight of 396.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenyl-2,1-benzoxazole-5-carbonyl)azetidin-3-yl]oxypyridine-4-carbonitrile is sourced from PubChem (CID 122252500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).