N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide

C25H31N5O2 — CID 30740204

IUPACN-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c1
InChIInChI=1S/C25H31N5O2/c1-17-7-5-9-21(15-17)25-28-27-24(32-25)20(4)30-13-11-29(12-14-30)16-23(31)26-22-10-6-8-18(2)19(22)3/h5-10,15,20H,11-14,16H2,1-4H3,(H,26,31)/t20-/m0/s1
InChIKeySELOPKHSURWJQI-FQEVSTJZSA-N
MW433.56 g/mol
LogP3.98
Rot. Bonds6

About N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide (PubChem CID 30740204) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
PubChem CID30740204
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
SMILESCc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c1
InChIInChI=1S/C25H31N5O2/c1-17-7-5-9-21(15-17)25-28-27-24(32-25)20(4)30-13-11-29(12-14-30)16-23(31)26-22-10-6-8-18(2)19(22)3/h5-10,15,20H,11-14,16H2,1-4H3,(H,26,31)/t20-/m0/s1
InChIKeySELOPKHSURWJQI-FQEVSTJZSA-N
XLogP3.98
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281670
N-(2-chlorophenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 30738031
N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281562
2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45281627
[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 8597061
2-[4-[(1S)-1-(2-chlorophenyl)ethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435355
2-(3-methylphenyl)-5-[1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 17396975
(2S)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N,N-dimethylpropanamide
CID 8694603
N-(2,3-dimethylphenyl)-2-[4-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8694532
N-(2,3-dimethylphenyl)-2-[4-(1-hydroxybutan-2-yl)piperazin-1-yl]acetamide
CID 111489813
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435389

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide (CID 30740204) is N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide is Cc1cccc(-c2nnc([C@H](C)N3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide?
The InChIKey is SELOPKHSURWJQI-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-7-5-9-21(15-17)25-28-27-24(32-25)20(4)30-13-11-29(12-14-30)16-23(31)26-22-10-6-8-18(2)19(22)3/h5-10,15,20H,11-14,16H2,1-4H3,(H,26,31)/t20-/m0/s1.
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide has a molecular weight of 433.56 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30740204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).