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

C23H23F3N4O3 — CID 140894756

IUPACN,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide
SMILESCC1COCCN1C(=O)N(C)Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1-c1ccccc1
InChIInChI=1S/C23H23F3N4O3/c1-15-14-32-11-10-30(15)22(31)29(2)13-18-9-8-17(12-19(18)16-6-4-3-5-7-16)20-27-28-21(33-20)23(24,25)26/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyZPEBXLBKGWCZFR-UHFFFAOYSA-N
MW460.46 g/mol
LogP4.69
Rot. Bonds4

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

N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide (PubChem CID 140894756) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide
PubChem CID140894756
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC NameN,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide
SMILESCC1COCCN1C(=O)N(C)Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1-c1ccccc1
InChIInChI=1S/C23H23F3N4O3/c1-15-14-32-11-10-30(15)22(31)29(2)13-18-9-8-17(12-19(18)16-6-4-3-5-7-16)20-27-28-21(33-20)23(24,25)26/h3-9,12,15H,10-11,13-14H2,1-2H3
InChIKeyZPEBXLBKGWCZFR-UHFFFAOYSA-N
XLogP4.69
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide (CID 140894756) is N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide is CC1COCCN1C(=O)N(C)Cc1ccc(-c2nnc(C(F)(F)F)o2)cc1-c1ccccc1.
What is the InChIKey of N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is ZPEBXLBKGWCZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-15-14-32-11-10-30(15)22(31)29(2)13-18-9-8-17(12-19(18)16-6-4-3-5-7-16)20-27-28-21(33-20)23(24,25)26/h3-9,12,15H,10-11,13-14H2,1-2H3.
What are the key properties of N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide?
N,3-dimethyl-N-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 460.46 g/mol, XLogP of 4.69, 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-[[2-phenyl-4-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 140894756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).