N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

C29H29N3O3 — CID 72947728

IUPACN-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)no2)cc1)NCC1CCCCC1
InChIInChI=1S/C29H29N3O3/c33-27(30-19-21-8-3-1-4-9-21)20-34-26-16-14-23(15-17-26)29-31-28(32-35-29)25-13-7-12-24(18-25)22-10-5-2-6-11-22/h2,5-7,10-18,21H,1,3-4,8-9,19-20H2,(H,30,33)
InChIKeyOCHKZXITQYYBHP-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.15
Rot. Bonds8

About N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide

N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 72947728) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID72947728
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC NameN-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESO=C(COc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)no2)cc1)NCC1CCCCC1
InChIInChI=1S/C29H29N3O3/c33-27(30-19-21-8-3-1-4-9-21)20-34-26-16-14-23(15-17-26)29-31-28(32-35-29)25-13-7-12-24(18-25)22-10-5-2-6-11-22/h2,5-7,10-18,21H,1,3-4,8-9,19-20H2,(H,30,33)
InChIKeyOCHKZXITQYYBHP-UHFFFAOYSA-N
XLogP6.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238040
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 39819010
N-cyclohexyl-2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 46267182
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
N-[(4-chlorophenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238051
2-(2-chloro-4-phenylphenoxy)-N-(cyclohexylmethyl)acetamide
CID 7653172
N-tert-butyl-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266757
N-[(2,5-dimethylphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238239
N-(3-ethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237863
2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-prop-2-enylacetamide
CID 45032444
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
2-cyclopentyl-N'-[2-(4-phenylphenoxy)acetyl]acetohydrazide
CID 54786447

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 72947728) is N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is O=C(COc1ccc(-c2nc(-c3cccc(-c4ccccc4)c3)no2)cc1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is OCHKZXITQYYBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c33-27(30-19-21-8-3-1-4-9-21)20-34-26-16-14-23(15-17-26)29-31-28(32-35-29)25-13-7-12-24(18-25)22-10-5-2-6-11-22/h2,5-7,10-18,21H,1,3-4,8-9,19-20H2,(H,30,33).
What are the key properties of N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 467.57 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[4-[3-(3-phenylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 72947728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).