7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide

C18H26N4O3 — CID 119817246

IUPAC7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
SMILESCOc1cccc(-c2noc(C(C)NC(=O)CCCCCCN)n2)c1
InChIInChI=1S/C18H26N4O3/c1-13(20-16(23)10-5-3-4-6-11-19)18-21-17(22-25-18)14-8-7-9-15(12-14)24-2/h7-9,12-13H,3-6,10-11,19H2,1-2H3,(H,20,23)
InChIKeyWWXZLIOTIFTLSO-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.83
Rot. Bonds10

About 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide

7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide (PubChem CID 119817246) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
PubChem CID119817246
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
SMILESCOc1cccc(-c2noc(C(C)NC(=O)CCCCCCN)n2)c1
InChIInChI=1S/C18H26N4O3/c1-13(20-16(23)10-5-3-4-6-11-19)18-21-17(22-25-18)14-8-7-9-15(12-14)24-2/h7-9,12-13H,3-6,10-11,19H2,1-2H3,(H,20,23)
InChIKeyWWXZLIOTIFTLSO-UHFFFAOYSA-N
XLogP2.83
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829
[6-[[(1R,2S)-1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]amino]-6-oxohexyl]azanium
CID 7205119
(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
CID 120796164
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 136528859
N-[(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
CID 7449596
6-amino-N-[2-methyl-1-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propyl]hexanamide
CID 42792299
3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119817254
2-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 119342756
4-amino-N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 120563931
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
1-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-(2-piperidin-1-ylethyl)urea
CID 154798020
6-amino-N-[1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]hexanamide
CID 42792330

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide (CID 119817246) is 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide is COc1cccc(-c2noc(C(C)NC(=O)CCCCCCN)n2)c1.
What is the InChIKey of 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide?
The InChIKey is WWXZLIOTIFTLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(20-16(23)10-5-3-4-6-11-19)18-21-17(22-25-18)14-8-7-9-15(12-14)24-2/h7-9,12-13H,3-6,10-11,19H2,1-2H3,(H,20,23).
What are the key properties of 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide?
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide has a molecular weight of 346.43 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide is sourced from PubChem (CID 119817246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).