N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide

C22H20F3N5O5 — CID 90462215

IUPACN-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2noc(-c3ccccc3)n2)ccc1OC(F)(F)F
InChIInChI=1S/C22H20F3N5O5/c23-22(24,25)34-17-7-6-15(12-16(17)27-18(31)13-30-8-10-33-11-9-30)26-20(32)19-28-21(35-29-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,32)(H,27,31)
InChIKeyVSQFRPSRMBKKOE-UHFFFAOYSA-N
MW491.43 g/mol
LogP3.16
Rot. Bonds7

About N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide

N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 90462215) has the molecular formula C22H20F3N5O5 and a molecular weight of 491.43 g/mol. Its IUPAC name is N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID90462215
Molecular FormulaC22H20F3N5O5
Molecular Weight491.43 g/mol
Exact Mass491.14
IUPAC NameN-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2noc(-c3ccccc3)n2)ccc1OC(F)(F)F
InChIInChI=1S/C22H20F3N5O5/c23-22(24,25)34-17-7-6-15(12-16(17)27-18(31)13-30-8-10-33-11-9-30)26-20(32)19-28-21(35-29-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,32)(H,27,31)
InChIKeyVSQFRPSRMBKKOE-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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Related Compounds

2-[3-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazole-5-carboxamide
CID 142796000
N-[3-[[(2R)-2-morpholin-4-ylpropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 86299604
2-morpholin-4-yl-N-[5-[2-(4-pyrimidin-5-ylphenyl)acetyl]-2-(trifluoromethoxy)phenyl]acetamide
CID 160927857
N-[5-(3-fluorophenyl)pyrazin-2-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385301
3-[(2-morpholin-4-ylacetyl)amino]-N-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 122500892
3-[(2-morpholin-4-ylacetyl)amino]-N-(5-pyridin-2-ylpyrazin-2-yl)-4-(trifluoromethoxy)benzamide
CID 118390484
4-(3-methoxypropoxy)-3-[(2-morpholin-4-ylacetyl)amino]-N-(4-phenylphenyl)benzamide
CID 86298920
N-[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 86294150
3-[(2-morpholin-4-ylacetyl)amino]-2-(6-phenylpyridazin-3-yl)-4-(trifluoromethoxy)benzamide
CID 142799136
N-[5-[2-[4-(2-fluoro-3-pyridinyl)phenyl]acetyl]-2-(trifluoromethoxy)phenyl]-2-morpholin-4-ylacetamide
CID 160817530
N-[6-(2-aminopyrimidin-5-yl)pyridazin-3-yl]-3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)benzamide
CID 118385317
tert-butyl-[4-[4-[[4-methoxy-3-[(2-morpholin-4-ylacetyl)amino]phenyl]carbamoyl]phenyl]phenyl]carbamic acid
CID 118877629

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide (CID 90462215) is N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide is O=C(CN1CCOCC1)Nc1cc(NC(=O)c2noc(-c3ccccc3)n2)ccc1OC(F)(F)F.
What is the InChIKey of N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VSQFRPSRMBKKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O5/c23-22(24,25)34-17-7-6-15(12-16(17)27-18(31)13-30-8-10-33-11-9-30)26-20(32)19-28-21(35-29-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,26,32)(H,27,31).
What are the key properties of N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide?
N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide 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 N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]-5-phenyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 90462215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).