2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

C23H26N4O2S — CID 95099718

IUPAC2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCc1ccccc1CC(=O)N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1
InChIInChI=1S/C23H26N4O2S/c1-17-7-5-6-10-19(17)16-21(28)24-20(15-18-8-3-2-4-9-18)22-25-26-23(29-22)27-11-13-30-14-12-27/h2-10,20H,11-16H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyBWKDXEUGJHOMRK-HXUWFJFHSA-N
MW422.55 g/mol
LogP3.57
Rot. Bonds7

About 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide

2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 95099718) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID95099718
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCc1ccccc1CC(=O)N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1
InChIInChI=1S/C23H26N4O2S/c1-17-7-5-6-10-19(17)16-21(28)24-20(15-18-8-3-2-4-9-18)22-25-26-23(29-22)27-11-13-30-14-12-27/h2-10,20H,11-16H2,1H3,(H,24,28)/t20-/m1/s1
InChIKeyBWKDXEUGJHOMRK-HXUWFJFHSA-N
XLogP3.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159565
2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 53159566
2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 95099678
N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide
CID 53159537
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]propanamide
CID 53159526
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2-methylpropanamide
CID 53159528
3-methyl-N-[(1R)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 95099451
3-methyl-N-[(1S)-2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
CID 95099450
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099643
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099644
2-methoxy-N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159460
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide
CID 95099631

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 95099718) is 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is Cc1ccccc1CC(=O)N[C@H](Cc1ccccc1)c1nnc(N2CCSCC2)o1.
What is the InChIKey of 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is BWKDXEUGJHOMRK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17-7-5-6-10-19(17)16-21(28)24-20(15-18-8-3-2-4-9-18)22-25-26-23(29-22)27-11-13-30-14-12-27/h2-10,20H,11-16H2,1H3,(H,24,28)/t20-/m1/s1.
What are the key properties of 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 95099718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).