(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone

C22H23N3O3 — CID 126780643

IUPAC(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)nc1
InChIInChI=1S/C22H23N3O3/c1-15-8-9-19(23-14-15)27-18-10-12-25(13-11-18)22(26)20-16(2)28-24-21(20)17-6-4-3-5-7-17/h3-9,14,18H,10-13H2,1-2H3
InChIKeyJVJACZJCUOSUDO-UHFFFAOYSA-N
MW377.44 g/mol
LogP4.04
Rot. Bonds4

About (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone

(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 126780643) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID126780643
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)nc1
InChIInChI=1S/C22H23N3O3/c1-15-8-9-19(23-14-15)27-18-10-12-25(13-11-18)22(26)20-16(2)28-24-21(20)17-6-4-3-5-7-17/h3-9,14,18H,10-13H2,1-2H3
InChIKeyJVJACZJCUOSUDO-UHFFFAOYSA-N
XLogP4.04
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

4-[(5-methyl-2-pyridinyl)oxy]piperidine-1-carboxylic acid
CID 126505601
[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 126776018
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027
N,N-dimethyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 78779333
[4-(1-hydroxycyclopropyl)piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 138806639
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 118793666
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(4-methylpiperazin-4-ium-1-yl)methanone
CID 5129232
[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417270
[(3S,4R)-4-hydroxy-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 169410585
[3-(2-fluorophenyl)pyrrolidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 70741594
(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 110878380
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone (CID 126780643) is (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3c(-c4ccccc4)noc3C)CC2)nc1.
What is the InChIKey of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is JVJACZJCUOSUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-8-9-19(23-14-15)27-18-10-12-25(13-11-18)22(26)20-16(2)28-24-21(20)17-6-4-3-5-7-17/h3-9,14,18H,10-13H2,1-2H3.
What are the key properties of (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone?
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 377.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 126780643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).