N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide

C21H30N4O2 — CID 95099631

IUPACN-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)19(26)22-17(15-16-11-7-6-8-12-16)18-23-24-20(27-18)25-13-9-4-5-10-14-25/h6-8,11-12,17H,4-5,9-10,13-15H2,1-3H3,(H,22,26)/t17-/m0/s1
InChIKeyCUZRTJHKBOZHKT-KRWDZBQOSA-N
MW370.50 g/mol
LogP3.90
Rot. Bonds5

About N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide

N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide (PubChem CID 95099631) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide
PubChem CID95099631
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC NameN-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1
InChIInChI=1S/C21H30N4O2/c1-21(2,3)19(26)22-17(15-16-11-7-6-8-12-16)18-23-24-20(27-18)25-13-9-4-5-10-14-25/h6-8,11-12,17H,4-5,9-10,13-15H2,1-3H3,(H,22,26)/t17-/m0/s1
InChIKeyCUZRTJHKBOZHKT-KRWDZBQOSA-N
XLogP3.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[2-phenyl-1-(5-thiomorpholin-4-yl-1,3,4-oxadiazol-2-yl)ethyl]propanamide
CID 53159566
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
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]propanamide
CID 53159526
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]cyclopropanecarboxamide
CID 95099600
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
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
2-methoxy-N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159460
N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,6-difluorobenzamide
CID 53159519

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide (CID 95099631) is N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1.
What is the InChIKey of N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide?
The InChIKey is CUZRTJHKBOZHKT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-21(2,3)19(26)22-17(15-16-11-7-6-8-12-16)18-23-24-20(27-18)25-13-9-4-5-10-14-25/h6-8,11-12,17H,4-5,9-10,13-15H2,1-3H3,(H,22,26)/t17-/m0/s1.
What are the key properties of N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide?
N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide has a molecular weight of 370.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 95099631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).