2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile

C20H18N4O4 — CID 71799027

IUPAC2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C20H18N4O4/c21-12-14-4-3-9-22-19(14)27-15-7-10-23(11-8-15)18(25)13-24-16-5-1-2-6-17(16)28-20(24)26/h1-6,9,15H,7-8,10-11,13H2
InChIKeyUMJPNNPUTKUNHS-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile

2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile (PubChem CID 71799027) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
PubChem CID71799027
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1
InChIInChI=1S/C20H18N4O4/c21-12-14-4-3-9-22-19(14)27-15-7-10-23(11-8-15)18(25)13-24-16-5-1-2-6-17(16)28-20(24)26/h1-6,9,15H,7-8,10-11,13H2
InChIKeyUMJPNNPUTKUNHS-UHFFFAOYSA-N
XLogP1.93
TPSA101.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile with MolForge

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Related Compounds

3-[2-[(3S)-3-(3-methoxypyrazin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 100654309
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 79029576
6-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122248830
3-[2-oxo-2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 71786887
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2093488
3-[2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 163338758
N-[4-[(3-cyano-2-pyridinyl)oxy]-2-methylphenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 55764036
3-[2-oxo-2-(3-pyridin-2-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-1,3-benzoxazol-2-one
CID 121195352
2-[1-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]oxypyridine-3-carbonitrile
CID 97416743
3-[2-oxo-2-(2-pyridin-2-ylpiperidin-1-yl)ethyl]-1,3-benzoxazol-2-one
CID 70723414
3-[2-oxo-2-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1,3-benzoxazol-2-one
CID 95862581
3-[2-oxo-2-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]-1,3-benzoxazol-2-one
CID 121186399

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The IUPAC name of 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile (CID 71799027) is 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The canonical SMILES for 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile is N#Cc1cccnc1OC1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1.
What is the InChIKey of 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
The InChIKey is UMJPNNPUTKUNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c21-12-14-4-3-9-22-19(14)27-15-7-10-23(11-8-15)18(25)13-24-16-5-1-2-6-17(16)28-20(24)26/h1-6,9,15H,7-8,10-11,13H2.
What are the key properties of 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile?
2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile has a molecular weight of 378.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-4-yl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 71799027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).