diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

C86H81F4N14O21P — CID 160985990

IUPACdiethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
SMILESCCOP(=O)(COC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OCC.CN1CCC(OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)CC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCOCC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OCCN1CCOCC1
InChIInChI=1S/C22H21FN4O5.C22H21FN4O4.C21H21FN3O7P.C21H18FN3O5/c23-18-7-2-1-6-17(18)21-24-19(26-32-21)15-4-3-5-16(14-15)20(28)25-22(29)31-13-10-27-8-11-30-12-9-27;1-27-11-9-16(10-12-27)30-22(29)25-20(28)15-6-4-5-14(13-15)19-24-21(31-26-19)17-7-2-3-8-18(17)23;1-3-30-33(28,31-4-2)13-29-21(27)24-19(26)15-9-7-8-14(12-15)18-23-20(32-25-18)16-10-5-6-11-17(16)22;22-17-7-2-1-6-16(17)20-23-18(25-30-20)13-4-3-5-14(12-13)19(26)24-21(27)29-15-8-10-28-11-9-15/h1-7,14H,8-13H2,(H,25,28,29);2-8,13,16H,9-12H2,1H3,(H,25,28,29);5-12H,3-4,13H2,1-2H3,(H,24,26,27);1-7,12,15H,8-11H2,(H,24,26,27)
InChIKeyTTZFZDRYDQVNFW-UHFFFAOYSA-N
MW1753.64 g/mol
LogP14.47
Rot. Bonds23

About diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate

diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (PubChem CID 160985990) has the molecular formula C86H81F4N14O21P and a molecular weight of 1753.64 g/mol. Its IUPAC name is diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.

Molecular Properties

Compound Namediethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
PubChem CID160985990
Molecular FormulaC86H81F4N14O21P
Molecular Weight1753.64 g/mol
Exact Mass1752.54
IUPAC Namediethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate
SMILESCCOP(=O)(COC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OCC.CN1CCC(OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)CC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCOCC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OCCN1CCOCC1
InChIInChI=1S/C22H21FN4O5.C22H21FN4O4.C21H21FN3O7P.C21H18FN3O5/c23-18-7-2-1-6-17(18)21-24-19(26-32-21)15-4-3-5-16(14-15)20(28)25-22(29)31-13-10-27-8-11-30-12-9-27;1-27-11-9-16(10-12-27)30-22(29)25-20(28)15-6-4-5-14(13-15)19-24-21(31-26-19)17-7-2-3-8-18(17)23;1-3-30-33(28,31-4-2)13-29-21(27)24-19(26)15-9-7-8-14(12-15)18-23-20(32-25-18)16-10-5-6-11-17(16)22;22-17-7-2-1-6-16(17)20-23-18(25-30-20)13-4-3-5-14(12-13)19(26)24-21(27)29-15-8-10-28-11-9-15/h1-7,14H,8-13H2,(H,25,28,29);2-8,13,16H,9-12H2,1H3,(H,25,28,29);5-12H,3-4,13H2,1-2H3,(H,24,26,27);1-7,12,15H,8-11H2,(H,24,26,27)
InChIKeyTTZFZDRYDQVNFW-UHFFFAOYSA-N
XLogP14.47
TPSA437.75 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds23
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001753.64
LogP ≤ 514.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?
The IUPAC name of diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate (CID 160985990) is diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate.
What is the SMILES notation for diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?
The canonical SMILES for diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is CCOP(=O)(COC(=O)NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OCC.CN1CCC(OC(=O)NC(=O)c2cccc(-c3noc(-c4ccccc4F)n3)c2)CC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OC1CCOCC1.O=C(NC(=O)c1cccc(-c2noc(-c3ccccc3F)n2)c1)OCCN1CCOCC1.
What is the InChIKey of diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?
The InChIKey is TTZFZDRYDQVNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O5.C22H21FN4O4.C21H21FN3O7P.C21H18FN3O5/c23-18-7-2-1-6-17(18)21-24-19(26-32-21)15-4-3-5-16(14-15)20(28)25-22(29)31-13-10-27-8-11-30-12-9-27;1-27-11-9-16(10-12-27)30-22(29)25-20(28)15-6-4-5-14(13-15)19-24-21(31-26-19)17-7-2-3-8-18(17)23;1-3-30-33(28,31-4-2)13-29-21(27)24-19(26)15-9-7-8-14(12-15)18-23-20(32-25-18)16-10-5-6-11-17(16)22;22-17-7-2-1-6-16(17)20-23-18(25-30-20)13-4-3-5-14(12-13)19(26)24-21(27)29-15-8-10-28-11-9-15/h1-7,14H,8-13H2,(H,25,28,29);2-8,13,16H,9-12H2,1H3,(H,25,28,29);5-12H,3-4,13H2,1-2H3,(H,24,26,27);1-7,12,15H,8-11H2,(H,24,26,27).
What are the key properties of diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate?
diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate has a molecular weight of 1753.64 g/mol, XLogP of 14.47, 23 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxyphosphorylmethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;(1-methylpiperidin-4-yl) N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;2-morpholin-4-ylethyl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate;oxan-4-yl N-[3-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoyl]carbamate is sourced from PubChem (CID 160985990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).