N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide

C21H26N6O3S — CID 112805997

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2)no1
InChIInChI=1S/C21H26N6O3S/c1-14-10-18(25-30-14)22-19(28)12-26-6-8-27(9-7-26)13-20-23-24-21(29-20)17-11-15-4-2-3-5-16(15)31-17/h10-11H,2-9,12-13H2,1H3,(H,22,25,28)
InChIKeyCQFRATVGDKOQFD-UHFFFAOYSA-N
MW442.55 g/mol
LogP2.73
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 112805997) has the molecular formula C21H26N6O3S and a molecular weight of 442.55 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID112805997
Molecular FormulaC21H26N6O3S
Molecular Weight442.55 g/mol
Exact Mass442.18
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCc1cc(NC(=O)CN2CCN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2)no1
InChIInChI=1S/C21H26N6O3S/c1-14-10-18(25-30-14)22-19(28)12-26-6-8-27(9-7-26)13-20-23-24-21(29-20)17-11-15-4-2-3-5-16(15)31-17/h10-11H,2-9,12-13H2,1H3,(H,22,25,28)
InChIKeyCQFRATVGDKOQFD-UHFFFAOYSA-N
XLogP2.73
TPSA100.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide with MolForge

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Related Compounds

2-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37047635
2-[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30666212
2-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
CID 112770375
N-cyclopropyl-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]propanamide
CID 112806887
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663891
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30664497
N-methyl-3-[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 55039601
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 30665563
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2571773
2-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 35321083

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide (CID 112805997) is N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide is Cc1cc(NC(=O)CN2CCN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)CC2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is CQFRATVGDKOQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3S/c1-14-10-18(25-30-14)22-19(28)12-26-6-8-27(9-7-26)13-20-23-24-21(29-20)17-11-15-4-2-3-5-16(15)31-17/h10-11H,2-9,12-13H2,1H3,(H,22,25,28).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 442.55 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[4-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 112805997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).