3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide

C22H20F3N5O5 — CID 90462315

IUPAC3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2nc(-c3ccccc3)no2)ccc1OC(F)(F)F
InChIInChI=1S/C22H20F3N5O5/c23-22(24,25)34-17-7-6-15(12-16(17)26-18(31)13-30-8-10-33-11-9-30)20(32)28-21-27-19(29-35-21)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,31)(H,27,28,29,32)
InChIKeyFKGHJQGUYZULAF-UHFFFAOYSA-N
MW491.43 g/mol
LogP3.16
Rot. Bonds7

About 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide

3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 90462315) has the molecular formula C22H20F3N5O5 and a molecular weight of 491.43 g/mol. Its IUPAC name is 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
PubChem CID90462315
Molecular FormulaC22H20F3N5O5
Molecular Weight491.43 g/mol
Exact Mass491.14
IUPAC Name3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide
SMILESO=C(CN1CCOCC1)Nc1cc(C(=O)Nc2nc(-c3ccccc3)no2)ccc1OC(F)(F)F
InChIInChI=1S/C22H20F3N5O5/c23-22(24,25)34-17-7-6-15(12-16(17)26-18(31)13-30-8-10-33-11-9-30)20(32)28-21-27-19(29-35-21)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,31)(H,27,28,29,32)
InChIKeyFKGHJQGUYZULAF-UHFFFAOYSA-N
XLogP3.16
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.43
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide (CID 90462315) is 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide is O=C(CN1CCOCC1)Nc1cc(C(=O)Nc2nc(-c3ccccc3)no2)ccc1OC(F)(F)F.
What is the InChIKey of 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is FKGHJQGUYZULAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O5/c23-22(24,25)34-17-7-6-15(12-16(17)26-18(31)13-30-8-10-33-11-9-30)20(32)28-21-27-19(29-35-21)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,31)(H,27,28,29,32).
What are the key properties of 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide?
3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 491.43 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-morpholin-4-ylacetyl)amino]-N-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 90462315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).