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

C23H23ClN2O3S — CID 166338951

IUPAC[4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
SMILESCc1cc(CSc2ccccc2C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C23H23ClN2O3S/c1-16-14-18(25-29-16)15-30-22-5-3-2-4-21(22)23(27)26-12-10-20(11-13-26)28-19-8-6-17(24)7-9-19/h2-9,14,20H,10-13,15H2,1H3
InChIKeyVWGAWRDEYLAZIK-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.61
Rot. Bonds6

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

[4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone (PubChem CID 166338951) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone.

Molecular Properties

Compound Name[4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
PubChem CID166338951
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name[4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
SMILESCc1cc(CSc2ccccc2C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)no1
InChIInChI=1S/C23H23ClN2O3S/c1-16-14-18(25-29-16)15-30-22-5-3-2-4-21(22)23(27)26-12-10-20(11-13-26)28-19-8-6-17(24)7-9-19/h2-9,14,20H,10-13,15H2,1H3
InChIKeyVWGAWRDEYLAZIK-UHFFFAOYSA-N
XLogP5.61
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[2-[4-(4-chlorophenoxy)piperidine-1-carbonyl]phenyl]sulfanylacetamide
CID 67169214
(4-ethylpiperazin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 145422783
N-(2-chloro-4-methylphenyl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]acetamide
CID 138603015
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 67169320
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 138603051
[4-(4-chlorophenoxy)piperidin-1-yl]-(3-phenyl-1,2-oxazol-5-yl)methanone
CID 166338859
[2-[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 72865582
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanone
CID 67168317
cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 56512652
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate
CID 8511008
(2-ethylsulfanylphenyl)-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558763
N-[(3-chlorophenyl)methyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzamide
CID 9402059

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone?
The IUPAC name of [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone (CID 166338951) is [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone.
What is the SMILES notation for [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone?
The canonical SMILES for [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone is Cc1cc(CSc2ccccc2C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)no1.
What is the InChIKey of [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone?
The InChIKey is VWGAWRDEYLAZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-16-14-18(25-29-16)15-30-22-5-3-2-4-21(22)23(27)26-12-10-20(11-13-26)28-19-8-6-17(24)7-9-19/h2-9,14,20H,10-13,15H2,1H3.
What are the key properties of [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone?
[4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone has a molecular weight of 442.97 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenoxy)piperidin-1-yl]-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone is sourced from PubChem (CID 166338951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).