N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide

C18H23N3O2 — CID 50754933

IUPACN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1noc(C2CCCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-13-7-5-6-10-15(13)11-17(22)19-12-16-20-18(23-21-16)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKeySTNJNKQHVKDPOB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.28
Rot. Bonds5

About N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide

N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide (PubChem CID 50754933) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
PubChem CID50754933
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NCc1noc(C2CCCCC2)n1
InChIInChI=1S/C18H23N3O2/c1-13-7-5-6-10-15(13)11-17(22)19-12-16-20-18(23-21-16)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,19,22)
InChIKeySTNJNKQHVKDPOB-UHFFFAOYSA-N
XLogP3.28
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-Benzhydryl-1,2,4-oxadiazol-5-yl)piperidine
CID 2761148
(R)-N-benzyl-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-1,2,4-oxadiazole-3-carboxamide
CID 10136534
(R)-N-benzyl-5-(6-cyclohexyl-1-(hydroxyamino)-1-oxohexan-3-yl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 10180993
4-[5-[2-[1-(3,5-Difluorophenyl)cyclohexyl]ethyl]-1,2,4-oxadiazol-3-yl]piperidin-2-one
CID 76471299
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylethyl)propanamide
CID 1952894
5-Cyclohexyl-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 3274111
3-Benzyl-5-(3-phenylpropyl)-1,2,4-oxadiazole
CID 145961274
2-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 1251501
4-(3-Benzyl-1,2,4-oxadiazol-5-yl)piperidine
CID 41541757
5-[5-(1-phenylethyl)-1,2,4-oxadiazol-3-yl]pyridin-2(1H)-one
CID 136087892
5-[5-(4-methylbenzyl)-1,2,4-oxadiazol-3-yl]pyridin-2(1H)-one
CID 136087932
US10195201, Example 11
CID 138403697

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide (CID 50754933) is N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NCc1noc(C2CCCCC2)n1.
What is the InChIKey of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide?
The InChIKey is STNJNKQHVKDPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-7-5-6-10-15(13)11-17(22)19-12-16-20-18(23-21-16)14-8-3-2-4-9-14/h5-7,10,14H,2-4,8-9,11-12H2,1H3,(H,19,22).
What are the key properties of N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide?
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 50754933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).