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

C21H28N4O3 — CID 75474704

IUPACN-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
SMILESO=C(CN1CCCCCC1c1noc(-c2ccccc2)n1)NC1CCOCC1
InChIInChI=1S/C21H28N4O3/c26-19(22-17-10-13-27-14-11-17)15-25-12-6-2-5-9-18(25)20-23-21(28-24-20)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,26)
InChIKeyDUXOHXJRTMZBQN-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.95
Rot. Bonds5

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

N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide (PubChem CID 75474704) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
PubChem CID75474704
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide
SMILESO=C(CN1CCCCCC1c1noc(-c2ccccc2)n1)NC1CCOCC1
InChIInChI=1S/C21H28N4O3/c26-19(22-17-10-13-27-14-11-17)15-25-12-6-2-5-9-18(25)20-23-21(28-24-20)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,26)
InChIKeyDUXOHXJRTMZBQN-UHFFFAOYSA-N
XLogP2.95
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
N-cyclohexyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxamide
CID 91905560
N-cyclohexyl-2-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 53177876
N-cyclohexyl-2-[(2S)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 95104314
1-[(2S)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-2-propylsulfonylethanone
CID 97345557
N-cyclohexyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]acetamide
CID 133482547
2-[(2R)-2-(6-benzyl-2-pyridinyl)pyrrolidin-1-yl]-N-cyclohexylacetamide
CID 95817930
1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 97345599
(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 97344897
N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 75474761
N,1-dimethyl-5-[1-[2-(oxan-4-ylamino)-2-oxoethyl]piperidin-2-yl]pyrrole-2-carboxamide
CID 129002539
N-[cyclopropyl(phenyl)methyl]-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]acetamide
CID 75369068

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide (CID 75474704) is N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide is O=C(CN1CCCCCC1c1noc(-c2ccccc2)n1)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide?
The InChIKey is DUXOHXJRTMZBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-19(22-17-10-13-27-14-11-17)15-25-12-6-2-5-9-18(25)20-23-21(28-24-20)16-7-3-1-4-8-16/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,22,26).
What are the key properties of N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide?
N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]acetamide is sourced from PubChem (CID 75474704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).