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

C22H29N3O3S — CID 55747802

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc(CSc2ccccc2C(=O)N2CCC(CN3CCOCC3)CC2)on1
InChIInChI=1S/C22H29N3O3S/c1-17-14-19(28-23-17)16-29-21-5-3-2-4-20(21)22(26)25-8-6-18(7-9-25)15-24-10-12-27-13-11-24/h2-5,14,18H,6-13,15-16H2,1H3
InChIKeyFQHOEDOCCUCWEV-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.46
Rot. Bonds6

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

[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 55747802) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID55747802
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc(CSc2ccccc2C(=O)N2CCC(CN3CCOCC3)CC2)on1
InChIInChI=1S/C22H29N3O3S/c1-17-14-19(28-23-17)16-29-21-5-3-2-4-20(21)22(26)25-8-6-18(7-9-25)15-24-10-12-27-13-11-24/h2-5,14,18H,6-13,15-16H2,1H3
InChIKeyFQHOEDOCCUCWEV-UHFFFAOYSA-N
XLogP3.46
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 30688147
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]methanone
CID 55432792
[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 146972172
[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]-[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]methanone
CID 55432762
[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55433527
(5-amino-2-methylphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120642716
N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 55432805
(4-aminopiperidin-1-yl)-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]phenyl]methanone
CID 119375601
N-[[(2S)-1,4-dioxan-2-yl]methyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzamide
CID 94630233
[4-(1-aminoethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]methanone
CID 119518567
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55930516
(4-ethylpiperazin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 145422783

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 55747802) is [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1cc(CSc2ccccc2C(=O)N2CCC(CN3CCOCC3)CC2)on1.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FQHOEDOCCUCWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-17-14-19(28-23-17)16-29-21-5-3-2-4-20(21)22(26)25-8-6-18(7-9-25)15-24-10-12-27-13-11-24/h2-5,14,18H,6-13,15-16H2,1H3.
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 415.56 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 55747802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).