3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide

C19H24N4O4 — CID 45495257

IUPAC3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccccc1OCc1noc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C19H24N4O4/c1-13(24)20-15-10-6-7-11-16(15)26-12-17-22-19(27-23-17)18(25)21-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H,20,24)(H,21,25)
InChIKeyJMRPTXSERSXVAR-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.06
Rot. Bonds6

About 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide

3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 45495257) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID45495257
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide
SMILESCC(=O)Nc1ccccc1OCc1noc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C19H24N4O4/c1-13(24)20-15-10-6-7-11-16(15)26-12-17-22-19(27-23-17)18(25)21-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H,20,24)(H,21,25)
InChIKeyJMRPTXSERSXVAR-UHFFFAOYSA-N
XLogP3.06
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-acetamidophenoxy)methyl]-N-[(1S)-1-phenylethyl]-1,2,4-oxadiazole-5-carboxamide
CID 45494912
3-[(2-acetamidophenoxy)methyl]-N-(1-phenylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 75117853
3-[(2-acetamidophenoxy)methyl]-N-(furan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492028
3-[(2-acetamidophenoxy)methyl]-N-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 45492031
2-(2-acetamidophenoxy)-N-cyclooctylacetamide
CID 17457791
methyl 2-[[2-[5-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-3-yl]acetyl]amino]benzoate
CID 45493956
(2R)-2-(2-acetamidophenoxy)-N-cyclohexylpropanamide
CID 9111099
N-cyclohexyl-2-[(2-ethoxybenzoyl)amino]benzamide
CID 4926381
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428154
N-[2-(cyclohexylcarbamoylamino)phenyl]acetamide
CID 113093681
1-cyclohexyl-3-(2-propoxyphenyl)urea
CID 47103328

Frequently Asked Questions

What is the IUPAC name of 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide (CID 45495257) is 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide is CC(=O)Nc1ccccc1OCc1noc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is JMRPTXSERSXVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13(24)20-15-10-6-7-11-16(15)26-12-17-22-19(27-23-17)18(25)21-14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H,20,24)(H,21,25).
What are the key properties of 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide?
3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-acetamidophenoxy)methyl]-N-cycloheptyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 45495257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).