N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide

C18H15N3O3 — CID 135419176

IUPACN-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C18H15N3O3/c1-12(22)19-14-9-6-13(7-10-14)8-11-17-20-18(24-21-17)15-4-2-3-5-16(15)23/h2-11,23H,1H3,(H,19,22)/b11-8+
InChIKeyKXDRZYJTTYXIEO-DHZHZOJOSA-N
MW321.34 g/mol
LogP3.57
Rot. Bonds4

About N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide

N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide (PubChem CID 135419176) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
PubChem CID135419176
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1
InChIInChI=1S/C18H15N3O3/c1-12(22)19-14-9-6-13(7-10-14)8-11-17-20-18(24-21-17)15-4-2-3-5-16(15)23/h2-11,23H,1H3,(H,19,22)/b11-8+
InChIKeyKXDRZYJTTYXIEO-DHZHZOJOSA-N
XLogP3.57
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 779192
2-(3-(3-(4-Hydroxyphenyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoic acid
CID 135800177
2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 767655
Phenol, 2-[3-[2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]-
CID 5296010
2-(4-methoxyphenyl)-N-{4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}acetamide
CID 2201684
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(2-methoxyphenyl)acetamide
CID 2202984
N-{4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}-2-(4-methoxyphenyl)acetamide
CID 3236909
2-{2-[5-(2-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]vinyl}phenol
CID 135460532
2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol
CID 3244230
4-(5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl)-N,N-dimethylaniline
CID 15665937
(6E)-6-[3-[(E)-2-(4-fluorophenyl)ethenyl]-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,4-dien-1-one
CID 135419177
2-(3-Benzyl-1,2,4-oxadiazol-5-yl)phenol
CID 136182355

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide (CID 135419176) is N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C/c2noc(-c3ccccc3O)n2)cc1.
What is the InChIKey of N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide?
The InChIKey is KXDRZYJTTYXIEO-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12(22)19-14-9-6-13(7-10-14)8-11-17-20-18(24-21-17)15-4-2-3-5-16(15)23/h2-11,23H,1H3,(H,19,22)/b11-8+.
What are the key properties of N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide?
N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide is sourced from PubChem (CID 135419176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).