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

C18H24N4O3 — CID 120835109

IUPAC2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(C2CCCCC2(C)N)n1
InChIInChI=1S/C18H24N4O3/c1-18(19)10-6-5-7-12(18)17-21-15(22-25-17)11-16(23)20-13-8-3-4-9-14(13)24-2/h3-4,8-9,12H,5-7,10-11,19H2,1-2H3,(H,20,23)
InChIKeyNEJGBQAZGQHNRT-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.63
Rot. Bonds5

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

2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 120835109) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID120835109
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cc1noc(C2CCCCC2(C)N)n1
InChIInChI=1S/C18H24N4O3/c1-18(19)10-6-5-7-12(18)17-21-15(22-25-17)11-16(23)20-13-8-3-4-9-14(13)24-2/h3-4,8-9,12H,5-7,10-11,19H2,1-2H3,(H,20,23)
InChIKeyNEJGBQAZGQHNRT-UHFFFAOYSA-N
XLogP2.63
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide
CID 120835117
N-(2-methoxyphenyl)-2-[5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]acetamide;hydrochloride
CID 120835126
2-[5-[(2R,4S)-4-fluoropyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 120835113
2-[5-(azepan-1-ylmethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 27100650
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 2-methylbutanoate
CID 46519923
2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
2-[(2,2-dimethylcyclohexyl)amino]-N-(2-methoxyphenyl)acetamide
CID 79871763
N-(2-ethoxyphenyl)-2-[5-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 154784542
2-(4,6-dichloro-1,3,5-triazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 3618480
2-[5-[(1-cyclopropylimidazol-2-yl)sulfanylmethyl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 16587947
[3-[2-(2-methoxyanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]methyl 4-amino-5-chloro-2-methoxybenzoate
CID 16578280
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide (CID 120835109) is 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cc1noc(C2CCCCC2(C)N)n1.
What is the InChIKey of 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is NEJGBQAZGQHNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-18(19)10-6-5-7-12(18)17-21-15(22-25-17)11-16(23)20-13-8-3-4-9-14(13)24-2/h3-4,8-9,12H,5-7,10-11,19H2,1-2H3,(H,20,23).
What are the key properties of 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 344.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-amino-2-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 120835109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).