2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide

C19H26N4O2S — CID 53159566

IUPAC2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccccc1)c1nnc(N2CCSCC2)o1
InChIInChI=1S/C19H26N4O2S/c1-19(2,3)17(24)20-15(13-14-7-5-4-6-8-14)16-21-22-18(25-16)23-9-11-26-12-10-23/h4-8,15H,9-13H2,1-3H3,(H,20,24)
InChIKeyZCTGNDJPWQFMLQ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.07
Rot. Bonds5

About 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide

2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide (PubChem CID 53159566) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
PubChem CID53159566
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
SMILESCC(C)(C)C(=O)NC(Cc1ccccc1)c1nnc(N2CCSCC2)o1
InChIInChI=1S/C19H26N4O2S/c1-19(2,3)17(24)20-15(13-14-7-5-4-6-8-14)16-21-22-18(25-16)23-9-11-26-12-10-23/h4-8,15H,9-13H2,1-3H3,(H,20,24)
InChIKeyZCTGNDJPWQFMLQ-UHFFFAOYSA-N
XLogP3.07
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide
CID 95099631
2-methoxy-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159565
N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]cyclohexanecarboxamide
CID 53159537
2-(2-methylphenyl)-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 95099718
2-cyclohexyl-N-[(1R)-2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 95099678
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099644
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
CID 95099643
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]cyclopropanecarboxamide
CID 53159506
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2-methylpropanamide
CID 53159528
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]cyclopropanecarboxamide
CID 95099599
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]cyclopropanecarboxamide
CID 95099600

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide (CID 53159566) is 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide is CC(C)(C)C(=O)NC(Cc1ccccc1)c1nnc(N2CCSCC2)o1.
What is the InChIKey of 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
The InChIKey is ZCTGNDJPWQFMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-19(2,3)17(24)20-15(13-14-7-5-4-6-8-14)16-21-22-18(25-16)23-9-11-26-12-10-23/h4-8,15H,9-13H2,1-3H3,(H,20,24).
What are the key properties of 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide?
2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide has a molecular weight of 374.51 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 53159566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).