N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

C13H19F2N3O3 — CID 71906700

IUPACN-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)N(CC(F)F)CC2CCC2)n1
InChIInChI=1S/C13H19F2N3O3/c1-9-16-12(21-17-9)7-20-8-13(19)18(6-11(14)15)5-10-3-2-4-10/h10-11H,2-8H2,1H3
InChIKeySVPLOGSPHZTBRL-UHFFFAOYSA-N
MW303.31 g/mol
LogP1.79
Rot. Bonds8

About N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (PubChem CID 71906700) has the molecular formula C13H19F2N3O3 and a molecular weight of 303.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
PubChem CID71906700
Molecular FormulaC13H19F2N3O3
Molecular Weight303.31 g/mol
Exact Mass303.14
IUPAC NameN-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)N(CC(F)F)CC2CCC2)n1
InChIInChI=1S/C13H19F2N3O3/c1-9-16-12(21-17-9)7-20-8-13(19)18(6-11(14)15)5-10-3-2-4-10/h10-11H,2-8H2,1H3
InChIKeySVPLOGSPHZTBRL-UHFFFAOYSA-N
XLogP1.79
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,4S)-4-tert-butylcycloheptyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 99827789
N-(cyclobutylmethyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 106414085
1-(4-benzylpiperidin-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]ethanone
CID 56790495
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119169132
(2S,3aS,7aR)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125152157
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-1-(5-methyl-2-propan-2-ylazepan-1-yl)ethanone
CID 102557466
3-fluoro-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 119258608
1-(cyclobutylmethyl)-2-methyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 119151403
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
N-(cyclopentylmethyl)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
CID 155954949
N-[1-(aminomethyl)cyclopentyl]-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 119568004
3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid
CID 119170018

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (CID 71906700) is N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is Cc1noc(COCC(=O)N(CC(F)F)CC2CCC2)n1.
What is the InChIKey of N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The InChIKey is SVPLOGSPHZTBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N3O3/c1-9-16-12(21-17-9)7-20-8-13(19)18(6-11(14)15)5-10-3-2-4-10/h10-11H,2-8H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide has a molecular weight of 303.31 g/mol, XLogP of 1.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-(2,2-difluoroethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 71906700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).