N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide

C16H16F3N3O3 — CID 155768958

IUPACN,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide
SMILESCN(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)C1(C)COC1
InChIInChI=1S/C16H16F3N3O3/c1-15(8-24-9-15)14(23)22(2)7-10-3-5-11(6-4-10)12-20-13(25-21-12)16(17,18)19/h3-6H,7-9H2,1-2H3
InChIKeyUACXKUGBMXKTFZ-UHFFFAOYSA-N
MW355.32 g/mol
LogP2.75
Rot. Bonds4

About N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide

N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide (PubChem CID 155768958) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide
PubChem CID155768958
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide
SMILESCN(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)C1(C)COC1
InChIInChI=1S/C16H16F3N3O3/c1-15(8-24-9-15)14(23)22(2)7-10-3-5-11(6-4-10)12-20-13(25-21-12)16(17,18)19/h3-6H,7-9H2,1-2H3
InChIKeyUACXKUGBMXKTFZ-UHFFFAOYSA-N
XLogP2.75
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide
CID 155768470
N-(cyclopropylmethyl)-1-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide
CID 155768353
3-methoxy-1-methyl-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521115
2-(2,2-dimethylhydrazinyl)-N-methyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 129304923
1-methyl-N-propoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropane-1-carboxamide
CID 155768408
N-cyclopropyl-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768332
N-methyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]methanesulfonamide
CID 147615340
1-methoxy-3-methyl-3-(2,2,2-trifluoroethyl)-1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521200
1-cyclobutyl-3-ethyl-1-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]urea
CID 146521164
N-methyl-2-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71230676
N-ethyl-2-oxo-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 137366881
N-methoxy-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 139509769

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide?
The IUPAC name of N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide (CID 155768958) is N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide is CN(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C(=O)C1(C)COC1.
What is the InChIKey of N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide?
The InChIKey is UACXKUGBMXKTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-15(8-24-9-15)14(23)22(2)7-10-3-5-11(6-4-10)12-20-13(25-21-12)16(17,18)19/h3-6H,7-9H2,1-2H3.
What are the key properties of N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide?
N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxetane-3-carboxamide is sourced from PubChem (CID 155768958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).