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

C18H24N4O2 — CID 95099644

IUPACN-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
SMILESCC(=O)N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1
InChIInChI=1S/C18H24N4O2/c1-14(23)19-16(13-15-9-5-4-6-10-15)17-20-21-18(24-17)22-11-7-2-3-8-12-22/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyBYLJCLTXDQWPJD-MRXNPFEDSA-N
MW328.42 g/mol
LogP2.87
Rot. Bonds5

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

N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide (PubChem CID 95099644) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
PubChem CID95099644
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide
SMILESCC(=O)N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1
InChIInChI=1S/C18H24N4O2/c1-14(23)19-16(13-15-9-5-4-6-10-15)17-20-21-18(24-17)22-11-7-2-3-8-12-22/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,19,23)/t16-/m1/s1
InChIKeyBYLJCLTXDQWPJD-MRXNPFEDSA-N
XLogP2.87
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-methylpropanamide
CID 53159528
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
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-[(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-[(1S)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]cyclopropanecarboxamide
CID 95099599
(E)-N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-3-phenylprop-2-enamide
CID 95099656
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-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide?
The IUPAC name of N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide (CID 95099644) is N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide.
What is the SMILES notation for N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide?
The canonical SMILES for N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide is CC(=O)N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1.
What is the InChIKey of N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide?
The InChIKey is BYLJCLTXDQWPJD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-14(23)19-16(13-15-9-5-4-6-10-15)17-20-21-18(24-17)22-11-7-2-3-8-12-22/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,19,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide?
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]acetamide is sourced from PubChem (CID 95099644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).