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

C17H15F3N6O3S — CID 140894491

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1nncs1
InChIInChI=1S/C17H15F3N6O3S/c18-12-7-10(14-22-23-15(29-14)13(19)20)1-2-11(12)8-26(16-24-21-9-30-16)17(27)25-3-5-28-6-4-25/h1-2,7,9,13H,3-6,8H2
InChIKeyNXLUXZHIFZWRPV-UHFFFAOYSA-N
MW440.41 g/mol
LogP3.12
Rot. Bonds5

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide (PubChem CID 140894491) has the molecular formula C17H15F3N6O3S and a molecular weight of 440.41 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
PubChem CID140894491
Molecular FormulaC17H15F3N6O3S
Molecular Weight440.41 g/mol
Exact Mass440.09
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
SMILESO=C(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1nncs1
InChIInChI=1S/C17H15F3N6O3S/c18-12-7-10(14-22-23-15(29-14)13(19)20)1-2-11(12)8-26(16-24-21-9-30-16)17(27)25-3-5-28-6-4-25/h1-2,7,9,13H,3-6,8H2
InChIKeyNXLUXZHIFZWRPV-UHFFFAOYSA-N
XLogP3.12
TPSA97.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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-[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-(2-aminoacetyl)-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide;N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-6-yl)morpholine-4-carboxamide
CID 161397463
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-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-1,1-dioxo-N-(4-pyridin-4-ylphenyl)-1,4-thiazinane-4-carboxamide
CID 140894550
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-phenyl-2-thia-6-azaspiro[3.3]heptane-6-carboxamide
CID 171513953
CID 171831968
CID 171831968
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-2-morpholin-4-ylacetamide
CID 126544353
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-4-methyl-N-(3-phenylphenyl)piperazine-1-carboxamide
CID 140894014
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)-4-(oxetan-3-yl)piperazine-1-carboxamide
CID 140895045
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(4-pyridin-3-ylphenyl)piperidine-1-carboxamide
CID 160662662
N-(3-chloro-4-fluorophenyl)-N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-3-fluoropyrrolidine-1-carboxamide
CID 140894002

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of 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) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide is O=C(N1CCOCC1)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1nncs1.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is NXLUXZHIFZWRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O3S/c18-12-7-10(14-22-23-15(29-14)13(19)20)1-2-11(12)8-26(16-24-21-9-30-16)17(27)25-3-5-28-6-4-25/h1-2,7,9,13H,3-6,8H2.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 440.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 140894491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).