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

C23H25FN4O2 — CID 95099612

IUPACN-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide
SMILESO=C(N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-19-12-10-18(11-13-19)21(29)25-20(16-17-8-4-3-5-9-17)22-26-27-23(30-22)28-14-6-1-2-7-15-28/h3-5,8-13,20H,1-2,6-7,14-16H2,(H,25,29)/t20-/m1/s1
InChIKeyGOOBIVLBIQRTTK-HXUWFJFHSA-N
MW408.48 g/mol
LogP4.30
Rot. Bonds6

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

N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide (PubChem CID 95099612) has the molecular formula C23H25FN4O2 and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide
PubChem CID95099612
Molecular FormulaC23H25FN4O2
Molecular Weight408.48 g/mol
Exact Mass408.20
IUPAC NameN-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide
SMILESO=C(N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1)c1ccc(F)cc1
InChIInChI=1S/C23H25FN4O2/c24-19-12-10-18(11-13-19)21(29)25-20(16-17-8-4-3-5-9-17)22-26-27-23(30-22)28-14-6-1-2-7-15-28/h3-5,8-13,20H,1-2,6-7,14-16H2,(H,25,29)/t20-/m1/s1
InChIKeyGOOBIVLBIQRTTK-HXUWFJFHSA-N
XLogP4.30
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-2,6-difluorobenzamide
CID 53159519
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
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
2-methoxy-N-[2-phenyl-1-(5-piperidin-1-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
CID 53159460

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide?
The IUPAC name of N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide (CID 95099612) is N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide?
The canonical SMILES for N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide is O=C(N[C@H](Cc1ccccc1)c1nnc(N2CCCCCC2)o1)c1ccc(F)cc1.
What is the InChIKey of N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide?
The InChIKey is GOOBIVLBIQRTTK-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25FN4O2/c24-19-12-10-18(11-13-19)21(29)25-20(16-17-8-4-3-5-9-17)22-26-27-23(30-22)28-14-6-1-2-7-15-28/h3-5,8-13,20H,1-2,6-7,14-16H2,(H,25,29)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide?
N-[(1R)-1-[5-(azepan-1-yl)-1,3,4-oxadiazol-2-yl]-2-phenylethyl]-4-fluorobenzamide has a molecular weight of 408.48 g/mol, XLogP of 4.30, 6 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]-4-fluorobenzamide is sourced from PubChem (CID 95099612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).