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

C20H26FN3O3 — CID 55972300

IUPAC4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide
SMILESCc1nc(C2(NC(=O)CCCOc3cccc(F)c3)CCCCCC2)no1
InChIInChI=1S/C20H26FN3O3/c1-15-22-19(24-27-15)20(11-4-2-3-5-12-20)23-18(25)10-7-13-26-17-9-6-8-16(21)14-17/h6,8-9,14H,2-5,7,10-13H2,1H3,(H,23,25)
InChIKeyWELYEZAGKDXMND-UHFFFAOYSA-N
MW375.44 g/mol
LogP4.04
Rot. Bonds7

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

4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide (PubChem CID 55972300) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide
PubChem CID55972300
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC Name4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide
SMILESCc1nc(C2(NC(=O)CCCOc3cccc(F)c3)CCCCCC2)no1
InChIInChI=1S/C20H26FN3O3/c1-15-22-19(24-27-15)20(11-4-2-3-5-12-20)23-18(25)10-7-13-26-17-9-6-8-16(21)14-17/h6,8-9,14H,2-5,7,10-13H2,1H3,(H,23,25)
InChIKeyWELYEZAGKDXMND-UHFFFAOYSA-N
XLogP4.04
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622293
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CID 31163791
3-(2,3-dichlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 38937786
4-(1,3-benzothiazol-2-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide
CID 55672594
3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 55528188
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 43045493
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-propanoylphenoxy)acetamide
CID 17463115
3-(3-chlorophenoxy)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
CID 60587411
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71968872
2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 146085075
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 60514358

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide (CID 55972300) is 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide is Cc1nc(C2(NC(=O)CCCOc3cccc(F)c3)CCCCCC2)no1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide?
The InChIKey is WELYEZAGKDXMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-15-22-19(24-27-15)20(11-4-2-3-5-12-20)23-18(25)10-7-13-26-17-9-6-8-16(21)14-17/h6,8-9,14H,2-5,7,10-13H2,1H3,(H,23,25).
What are the key properties of 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide?
4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide has a molecular weight of 375.44 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide is sourced from PubChem (CID 55972300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).