N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

C16H15F3N4O4 — CID 146602047

IUPACN,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)C1=NOC(COc2cccc(-c3noc(C(F)(F)F)n3)c2)C1
InChIInChI=1S/C16H15F3N4O4/c1-23(2)14(24)12-7-11(26-21-12)8-25-10-5-3-4-9(6-10)13-20-15(27-22-13)16(17,18)19/h3-6,11H,7-8H2,1-2H3
InChIKeyHGSCTHHJQOKABV-UHFFFAOYSA-N
MW384.31 g/mol
LogP2.37
Rot. Bonds5

About N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide

N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 146602047) has the molecular formula C16H15F3N4O4 and a molecular weight of 384.31 g/mol. Its IUPAC name is N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID146602047
Molecular FormulaC16H15F3N4O4
Molecular Weight384.31 g/mol
Exact Mass384.10
IUPAC NameN,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCN(C)C(=O)C1=NOC(COc2cccc(-c3noc(C(F)(F)F)n3)c2)C1
InChIInChI=1S/C16H15F3N4O4/c1-23(2)14(24)12-7-11(26-21-12)8-25-10-5-3-4-9(6-10)13-20-15(27-22-13)16(17,18)19/h3-6,11H,7-8H2,1-2H3
InChIKeyHGSCTHHJQOKABV-UHFFFAOYSA-N
XLogP2.37
TPSA90.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,2-dimethyl-1-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]propan-1-one
CID 156780383
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 53345129
pyridin-2-yl-[(3S)-3-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyrrolidin-1-yl]methanone
CID 146461594
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 90464045
N,N-dimethyl-3-[[3-oxo-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-isoindol-2-yl]methyl]benzamide
CID 134537777
N-[2-[2,3-dihydro-1,4-benzodioxin-5-yl(methyl)amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71487385
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylpropan-2-amine
CID 62818337
[4-[3-(dimethylamino)propyl]piperazin-1-yl]-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanone
CID 44523934
N-methyl-N-(oxolan-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 126811766
N-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(methyl)amino]ethyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71203810
5-[chloro(difluoro)methyl]-3-[3-[(2-methylpropan-2-yl)oxy]phenyl]-1,2,4-oxadiazole
CID 175189888
N-[2-(dimethylamino)ethyl]-N-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71231062

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 146602047) is N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is CN(C)C(=O)C1=NOC(COc2cccc(-c3noc(C(F)(F)F)n3)c2)C1.
What is the InChIKey of N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is HGSCTHHJQOKABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O4/c1-23(2)14(24)12-7-11(26-21-12)8-25-10-5-3-4-9(6-10)13-20-15(27-22-13)16(17,18)19/h3-6,11H,7-8H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide?
N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 384.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]methyl]-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146602047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).