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

C21H15N3O3 — CID 137028428

IUPACN-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C21H15N3O3/c25-18-12-8-16(9-13-18)21-23-19(24-27-21)14-6-10-17(11-7-14)22-20(26)15-4-2-1-3-5-15/h1-13,25H,(H,22,26)
InChIKeyGYVPBDWEWNFIOZ-UHFFFAOYSA-N
MW357.37 g/mol
LogP4.36
Rot. Bonds4

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

N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide (PubChem CID 137028428) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
PubChem CID137028428
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide
SMILESO=C(Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1)c1ccccc1
InChIInChI=1S/C21H15N3O3/c25-18-12-8-16(9-13-18)21-23-19(24-27-21)14-6-10-17(11-7-14)22-20(26)15-4-2-1-3-5-15/h1-13,25H,(H,22,26)
InChIKeyGYVPBDWEWNFIOZ-UHFFFAOYSA-N
XLogP4.36
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-(3-(4-Hydroxyphenyl)-1,2,4-oxadiazol-5-yl)propanamido)benzoic acid
CID 135800177
N-[4-[(E)-2-[(5Z)-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-2H-1,2,4-oxadiazol-3-yl]ethenyl]phenyl]acetamide
CID 135419176
Phenol, 2-[3-[2-[4-(dimethylamino)phenyl]ethenyl]-1,2,4-oxadiazol-5-yl]-
CID 5296010
4-[3-(4-Iodophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136099769
2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenol
CID 3244230
4-[4-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanoylamino]benzamide
CID 1971769
4-[5-(4-Hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol
CID 3971875
N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 4899129
4-[3-(4-Phenoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 118730430
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 118730576
4-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenol
CID 135878213
2-Amino-4-[3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136961500

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide?
The IUPAC name of N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide (CID 137028428) is N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide.
What is the SMILES notation for N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide?
The canonical SMILES for N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide is O=C(Nc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide?
The InChIKey is GYVPBDWEWNFIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-18-12-8-16(9-13-18)21-23-19(24-27-21)14-6-10-17(11-7-14)22-20(26)15-4-2-1-3-5-15/h1-13,25H,(H,22,26).
What are the key properties of N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide?
N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide has a molecular weight of 357.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzamide is sourced from PubChem (CID 137028428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).