3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide

C17H20FN3O3 — CID 31164048

IUPAC3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)NC2(c3noc(C)n3)CCCCC2)cc1F
InChIInChI=1S/C17H20FN3O3/c1-11-19-16(21-24-11)17(8-4-3-5-9-17)20-15(22)12-6-7-14(23-2)13(18)10-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyLSASOWVBFKDORP-UHFFFAOYSA-N
MW333.36 g/mol
LogP3.12
Rot. Bonds4

About 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide

3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide (PubChem CID 31164048) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
PubChem CID31164048
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)NC2(c3noc(C)n3)CCCCC2)cc1F
InChIInChI=1S/C17H20FN3O3/c1-11-19-16(21-24-11)17(8-4-3-5-9-17)20-15(22)12-6-7-14(23-2)13(18)10-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,22)
InChIKeyLSASOWVBFKDORP-UHFFFAOYSA-N
XLogP3.12
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-3-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 146085075
4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55672305
methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
CID 60559915
1-[(3-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxylic acid
CID 120538673
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
3-(diethylsulfamoyl)-4-fluoro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]benzamide
CID 86998429
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-methylsulfonylbenzamide
CID 55528264
1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351057
4-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622238
4-(4-chloro-2-nitrophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 55537461
N-(5-chloro-2-methoxyphenyl)-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]acetamide
CID 47075222

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide (CID 31164048) is 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide is COc1ccc(C(=O)NC2(c3noc(C)n3)CCCCC2)cc1F.
What is the InChIKey of 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide?
The InChIKey is LSASOWVBFKDORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-19-16(21-24-11)17(8-4-3-5-9-17)20-15(22)12-6-7-14(23-2)13(18)10-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,20,22).
What are the key properties of 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide?
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide has a molecular weight of 333.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide is sourced from PubChem (CID 31164048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).