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

C22H24N4O2S — CID 146972172

IUPAC[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccccc3SCc3cc(C)no3)CC2)nc1
InChIInChI=1S/C22H24N4O2S/c1-16-7-8-21(23-14-16)25-9-11-26(12-10-25)22(27)19-5-3-4-6-20(19)29-15-18-13-17(2)24-28-18/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyAMQIICZWDGNDNP-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.94
Rot. Bonds5

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

[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 146972172) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID146972172
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC Name[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3ccccc3SCc3cc(C)no3)CC2)nc1
InChIInChI=1S/C22H24N4O2S/c1-16-7-8-21(23-14-16)25-9-11-26(12-10-25)22(27)19-5-3-4-6-20(19)29-15-18-13-17(2)24-28-18/h3-8,13-14H,9-12,15H2,1-2H3
InChIKeyAMQIICZWDGNDNP-UHFFFAOYSA-N
XLogP3.94
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55433527
[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-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 55747802
[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]-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55930516
[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 31306162
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
CID 51246358
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(thiophen-2-ylmethylsulfanyl)phenyl]methanone
CID 32646532
1-[4-[2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]benzoyl]piperazin-1-yl]ethanone
CID 36708662
(4-ethylpiperazin-1-yl)-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]phenyl]methanone
CID 145422783
2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(3-methylphenyl)benzamide
CID 51246069

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 146972172) is [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3ccccc3SCc3cc(C)no3)CC2)nc1.
What is the InChIKey of [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is AMQIICZWDGNDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-16-7-8-21(23-14-16)25-9-11-26(12-10-25)22(27)19-5-3-4-6-20(19)29-15-18-13-17(2)24-28-18/h3-8,13-14H,9-12,15H2,1-2H3.
What are the key properties of [2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone?
[2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]phenyl]-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 408.53 g/mol, XLogP of 3.94, 5 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-(5-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 146972172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).