N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide

C25H40N4O2 — CID 170355305

IUPACN-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide
SMILESCCCCCCCCCCc1ccc(-c2noc(C(CCCCN)NC(C)=O)n2)cc1
InChIInChI=1S/C25H40N4O2/c1-3-4-5-6-7-8-9-10-13-21-15-17-22(18-16-21)24-28-25(31-29-24)23(27-20(2)30)14-11-12-19-26/h15-18,23H,3-14,19,26H2,1-2H3,(H,27,30)
InChIKeyAWGZTUGARQIMRD-UHFFFAOYSA-N
MW428.62 g/mol
LogP5.73
Rot. Bonds16

About N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide

N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide (PubChem CID 170355305) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide.

Molecular Properties

Compound NameN-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide
PubChem CID170355305
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC NameN-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide
SMILESCCCCCCCCCCc1ccc(-c2noc(C(CCCCN)NC(C)=O)n2)cc1
InChIInChI=1S/C25H40N4O2/c1-3-4-5-6-7-8-9-10-13-21-15-17-22(18-16-21)24-28-25(31-29-24)23(27-20(2)30)14-11-12-19-26/h15-18,23H,3-14,19,26H2,1-2H3,(H,27,30)
InChIKeyAWGZTUGARQIMRD-UHFFFAOYSA-N
XLogP5.73
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.62
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentane-1,5-diamine;dihydrochloride
CID 170355270
(1S)-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propane-1,3-diamine;dihydrochloride
CID 170355361
N-[1-[3-[4-(4-hexoxyphenoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 134137111
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-hydroxypropanamide
CID 170355360
(2S)-2-amino-N-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide;hydrochloride
CID 170355390
N-[(1S)-3-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)butyl]acetamide
CID 71377168
5-amino-6-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-6-oxohexanoic acid
CID 170355190
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104685798
[(2S)-1-[[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]methylamino]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 170355423
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]propan-1-amine
CID 170867952
tert-butyl N-[(2R)-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-yl]carbamate
CID 170522304
2-amino-N-[[4-(5-heptyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-4-hydroxybutanamide
CID 66988783

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide?
The IUPAC name of N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide (CID 170355305) is N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide.
What is the SMILES notation for N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide?
The canonical SMILES for N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide is CCCCCCCCCCc1ccc(-c2noc(C(CCCCN)NC(C)=O)n2)cc1.
What is the InChIKey of N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide?
The InChIKey is AWGZTUGARQIMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-3-4-5-6-7-8-9-10-13-21-15-17-22(18-16-21)24-28-25(31-29-24)23(27-20(2)30)14-11-12-19-26/h15-18,23H,3-14,19,26H2,1-2H3,(H,27,30).
What are the key properties of N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide?
N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide has a molecular weight of 428.62 g/mol, XLogP of 5.73, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-1-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]pentyl]acetamide is sourced from PubChem (CID 170355305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).