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

C18H18F3N3O4 — CID 155768574

IUPACN-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1COC1
InChIInChI=1S/C18H18F3N3O4/c19-18(20,21)17-22-15(23-28-17)12-5-3-11(4-6-12)8-24(13-9-26-10-13)16(25)14-2-1-7-27-14/h3-6,13-14H,1-2,7-10H2
InChIKeyZVEVUYUUFXSLRK-UHFFFAOYSA-N
MW397.35 g/mol
LogP2.66
Rot. Bonds5

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

N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide (PubChem CID 155768574) has the molecular formula C18H18F3N3O4 and a molecular weight of 397.35 g/mol. Its IUPAC name is N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide
PubChem CID155768574
Molecular FormulaC18H18F3N3O4
Molecular Weight397.35 g/mol
Exact Mass397.12
IUPAC NameN-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide
SMILESO=C(C1CCCO1)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1COC1
InChIInChI=1S/C18H18F3N3O4/c19-18(20,21)17-22-15(23-28-17)12-5-3-11(4-6-12)8-24(13-9-26-10-13)16(25)14-2-1-7-27-14/h3-6,13-14H,1-2,7-10H2
InChIKeyZVEVUYUUFXSLRK-UHFFFAOYSA-N
XLogP2.66
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-[[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]oxolane-2-carboxamide
CID 142423258
N-cyclopropyl-2,2-dimethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]propanamide
CID 155768332
N-(oxolan-2-ylmethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
CID 155768841
N'-(oxolan-2-ylmethyl)-N'-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxamide
CID 137366662
N-(oxolan-2-ylmethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]thietane-3-carboxamide
CID 155768924
N-cyclopropyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 155768249
N-cyclopropyl-2-phenyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]acetamide
CID 155768569
N-ethyl-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclopentanecarboxamide
CID 155768428
N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
CID 155768651
3,3-dimethyl-N-(oxolan-2-ylmethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]butanamide
CID 155768270
N-(oxolan-2-ylmethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]but-2-enamide
CID 155768360
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-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide (CID 155768574) is N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide is O=C(C1CCCO1)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)C1COC1.
What is the InChIKey of N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide?
The InChIKey is ZVEVUYUUFXSLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O4/c19-18(20,21)17-22-15(23-28-17)12-5-3-11(4-6-12)8-24(13-9-26-10-13)16(25)14-2-1-7-27-14/h3-6,13-14H,1-2,7-10H2.
What are the key properties of N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide?
N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide has a molecular weight of 397.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxetan-3-yl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 155768574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).