4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide

C24H27N5O4S — CID 27277604

IUPAC4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(C)c(OCc2nnc(SCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)o2)c1
InChIInChI=1S/C24H27N5O4S/c1-17-8-9-18(2)20(14-17)32-15-21-26-27-24(33-21)34-16-22(30)28-10-12-29(13-11-28)23(31)25-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,31)
InChIKeyDCJHMVRFMOGUPL-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.73
Rot. Bonds7

About 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide

4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 27277604) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide
PubChem CID27277604
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide
SMILESCc1ccc(C)c(OCc2nnc(SCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)o2)c1
InChIInChI=1S/C24H27N5O4S/c1-17-8-9-18(2)20(14-17)32-15-21-26-27-24(33-21)34-16-22(30)28-10-12-29(13-11-28)23(31)25-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,31)
InChIKeyDCJHMVRFMOGUPL-UHFFFAOYSA-N
XLogP3.73
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide with MolForge

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Related Compounds

2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid
CID 39403307
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 112786963
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
CID 112786948
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-ethyl-N-phenylacetamide
CID 35989769
N-cycloheptyl-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786968
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3,4-dimethylphenyl)ethanone
CID 39606908
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 78833592
2-[(2,5-dimethylphenoxy)methyl]-5-(2-phenylethylsulfanyl)-1,3,4-oxadiazole
CID 112786908
2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylbutan-2-yl)acetamide
CID 78815183
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786905
N-(5-chloro-2-pyridinyl)-2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786877
2-[[5-[(3-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 864816

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide (CID 27277604) is 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide is Cc1ccc(C)c(OCc2nnc(SCC(=O)N3CCN(C(=O)Nc4ccccc4)CC3)o2)c1.
What is the InChIKey of 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is DCJHMVRFMOGUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-17-8-9-18(2)20(14-17)32-15-21-26-27-24(33-21)34-16-22(30)28-10-12-29(13-11-28)23(31)25-19-6-4-3-5-7-19/h3-9,14H,10-13,15-16H2,1-2H3,(H,25,31).
What are the key properties of 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide?
4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 27277604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).