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

C25H29N3O3 — CID 55672501

IUPAC2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
SMILESCc1nc(C2(NC(=O)COc3ccccc3Cc3ccccc3)CCCCCC2)no1
InChIInChI=1S/C25H29N3O3/c1-19-26-24(28-31-19)25(15-9-2-3-10-16-25)27-23(29)18-30-22-14-8-7-13-21(22)17-20-11-5-4-6-12-20/h4-8,11-14H,2-3,9-10,15-18H2,1H3,(H,27,29)
InChIKeyHLSFGBRTYUFHEX-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.71
Rot. Bonds7

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

2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide (PubChem CID 55672501) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide.

Molecular Properties

Compound Name2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
PubChem CID55672501
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
SMILESCc1nc(C2(NC(=O)COc3ccccc3Cc3ccccc3)CCCCCC2)no1
InChIInChI=1S/C25H29N3O3/c1-19-26-24(28-31-19)25(15-9-2-3-10-16-25)27-23(29)18-30-22-14-8-7-13-21(22)17-20-11-5-4-6-12-20/h4-8,11-14H,2-3,9-10,15-18H2,1H3,(H,27,29)
InChIKeyHLSFGBRTYUFHEX-UHFFFAOYSA-N
XLogP4.71
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide
CID 17463115
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 60514358
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 55528110
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
3-(2,3-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 38937786
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71968872
2-(2-benzylphenoxy)-N-methylacetamide
CID 7661700
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55872142
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 47084614

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The IUPAC name of 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide (CID 55672501) is 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide.
What is the SMILES notation for 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The canonical SMILES for 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide is Cc1nc(C2(NC(=O)COc3ccccc3Cc3ccccc3)CCCCCC2)no1.
What is the InChIKey of 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The InChIKey is HLSFGBRTYUFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-19-26-24(28-31-19)25(15-9-2-3-10-16-25)27-23(29)18-30-22-14-8-7-13-21(22)17-20-11-5-4-6-12-20/h4-8,11-14H,2-3,9-10,15-18H2,1H3,(H,27,29).
What are the key properties of 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylphenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide is sourced from PubChem (CID 55672501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).