N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide

C24H25F3N4O4 — CID 140895103

IUPACN-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide
SMILESCOc1c(CCNC(=O)N2CCOCC2)cccc1Cc1ccc(-c2nnc(C(F)F)o2)cc1F
InChIInChI=1S/C24H25F3N4O4/c1-33-20-15(7-8-28-24(32)31-9-11-34-12-10-31)3-2-4-17(20)13-16-5-6-18(14-19(16)25)22-29-30-23(35-22)21(26)27/h2-6,14,21H,7-13H2,1H3,(H,28,32)
InChIKeyHBERMALRMBYBID-UHFFFAOYSA-N
MW490.48 g/mol
LogP4.00
Rot. Bonds8

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

N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide (PubChem CID 140895103) has the molecular formula C24H25F3N4O4 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide
PubChem CID140895103
Molecular FormulaC24H25F3N4O4
Molecular Weight490.48 g/mol
Exact Mass490.18
IUPAC NameN-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide
SMILESCOc1c(CCNC(=O)N2CCOCC2)cccc1Cc1ccc(-c2nnc(C(F)F)o2)cc1F
InChIInChI=1S/C24H25F3N4O4/c1-33-20-15(7-8-28-24(32)31-9-11-34-12-10-31)3-2-4-17(20)13-16-5-6-18(14-19(16)25)22-29-30-23(35-22)21(26)27/h2-6,14,21H,7-13H2,1H3,(H,28,32)
InChIKeyHBERMALRMBYBID-UHFFFAOYSA-N
XLogP4.00
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-methoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 140894919
N-[2-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]morpholine-4-carboxamide
CID 110321343
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(3-phenylphenyl)piperazine-1-carboxamide
CID 140894014
CID 171831968
CID 171831968
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(4-fluorophenyl)morpholine-4-carboxamide
CID 159497064
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 140894491
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-phenyl-1,4-thiazinane-4-carboxamide
CID 140894217
N-(4-chlorophenyl)-N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]morpholine-4-carboxamide;N-(4-chlorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]morpholine-4-carboxamide
CID 160669247
N-[[4-[2-[(2,2-difluoroacetyl)amino]acetyl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-ethyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 158318329
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1-formylimino-N-phenyl-1,4-thiazinane-4-carboxamide;methoxymethane
CID 171513894
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,4-thiazinane-4-carboxamide
CID 140894566

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide (CID 140895103) is N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide is COc1c(CCNC(=O)N2CCOCC2)cccc1Cc1ccc(-c2nnc(C(F)F)o2)cc1F.
What is the InChIKey of N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide?
The InChIKey is HBERMALRMBYBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O4/c1-33-20-15(7-8-28-24(32)31-9-11-34-12-10-31)3-2-4-17(20)13-16-5-6-18(14-19(16)25)22-29-30-23(35-22)21(26)27/h2-6,14,21H,7-13H2,1H3,(H,28,32).
What are the key properties of N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide?
N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide has a molecular weight of 490.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-methoxyphenyl]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 140895103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).