N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide

C16H17F2N3O3 — CID 91775502

IUPACN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)N(C)Cc1noc(C2CCC2)n1
InChIInChI=1S/C16H17F2N3O3/c1-21(8-12-19-15(24-20-12)9-4-3-5-9)16(22)13-11(23-2)7-6-10(17)14(13)18/h6-7,9H,3-5,8H2,1-2H3
InChIKeyDHOOQPKQYTWOQL-UHFFFAOYSA-N
MW337.33 g/mol
LogP2.90
Rot. Bonds5

About N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide

N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide (PubChem CID 91775502) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
PubChem CID91775502
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC NameN-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
SMILESCOc1ccc(F)c(F)c1C(=O)N(C)Cc1noc(C2CCC2)n1
InChIInChI=1S/C16H17F2N3O3/c1-21(8-12-19-15(24-20-12)9-4-3-5-9)16(22)13-11(23-2)7-6-10(17)14(13)18/h6-7,9H,3-5,8H2,1-2H3
InChIKeyDHOOQPKQYTWOQL-UHFFFAOYSA-N
XLogP2.90
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide with MolForge

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Related Compounds

N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-4-(2-hydroxyethylsulfanyl)-N-methylbenzamide
CID 91796441
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-(4-fluorophenyl)-N-methylbutanamide
CID 122152905
1-(1,3-benzodioxol-5-ylmethyl)-N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N,4-dimethyl-2-oxopyridine-3-carboxamide
CID 172664857
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(oxolan-3-yl)acetamide
CID 119065918
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2-(dimethylamino)-N-methyl-2-(3-methylphenyl)acetamide
CID 50960712
1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-ethyl-3-(6-methoxy-3-pyridinyl)urea
CID 118760709
3-(2-chloro-6-methylphenyl)-1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-methylurea
CID 72912400
2-[[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50956884
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
N-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-3-fluoro-N-methylbenzamide
CID 53055562
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide
CID 135117219
3-cyano-N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-4-methoxybenzamide
CID 50755095

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide?
The IUPAC name of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide (CID 91775502) is N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide.
What is the SMILES notation for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide?
The canonical SMILES for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide is COc1ccc(F)c(F)c1C(=O)N(C)Cc1noc(C2CCC2)n1.
What is the InChIKey of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide?
The InChIKey is DHOOQPKQYTWOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-21(8-12-19-15(24-20-12)9-4-3-5-9)16(22)13-11(23-2)7-6-10(17)14(13)18/h6-7,9H,3-5,8H2,1-2H3.
What are the key properties of N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide?
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide has a molecular weight of 337.33 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-2,3-difluoro-6-methoxy-N-methylbenzamide is sourced from PubChem (CID 91775502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).