N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide

C25H28F2N4O4 — CID 167496748

IUPACN-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide
SMILESCOc1ccccc1CCN(Cc1ccc(-c2nnc(C(C)F)o2)cc1F)C(=O)N1CCOCC1
InChIInChI=1S/C25H28F2N4O4/c1-17(26)23-28-29-24(35-23)19-7-8-20(21(27)15-19)16-31(25(32)30-11-13-34-14-12-30)10-9-18-5-3-4-6-22(18)33-2/h3-8,15,17H,9-14,16H2,1-2H3
InChIKeyBPZKAAATNIGHCY-UHFFFAOYSA-N
MW486.52 g/mol
LogP4.41
Rot. Bonds8

About N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide

N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide (PubChem CID 167496748) has the molecular formula C25H28F2N4O4 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide
PubChem CID167496748
Molecular FormulaC25H28F2N4O4
Molecular Weight486.52 g/mol
Exact Mass486.21
IUPAC NameN-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide
SMILESCOc1ccccc1CCN(Cc1ccc(-c2nnc(C(C)F)o2)cc1F)C(=O)N1CCOCC1
InChIInChI=1S/C25H28F2N4O4/c1-17(26)23-28-29-24(35-23)19-7-8-20(21(27)15-19)16-31(25(32)30-11-13-34-14-12-30)10-9-18-5-3-4-6-22(18)33-2/h3-8,15,17H,9-14,16H2,1-2H3
InChIKeyBPZKAAATNIGHCY-UHFFFAOYSA-N
XLogP4.41
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide (CID 167496748) is N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide is COc1ccccc1CCN(Cc1ccc(-c2nnc(C(C)F)o2)cc1F)C(=O)N1CCOCC1.
What is the InChIKey of N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide?
The InChIKey is BPZKAAATNIGHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N4O4/c1-17(26)23-28-29-24(35-23)19-7-8-20(21(27)15-19)16-31(25(32)30-11-13-34-14-12-30)10-9-18-5-3-4-6-22(18)33-2/h3-8,15,17H,9-14,16H2,1-2H3.
What are the key properties of N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide?
N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-fluoro-4-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 167496748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).