N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide

C19H16F3N5O5 — CID 144677567

IUPACN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide
SMILESNc1noc2cc(NC(=O)C(O)C3OCCN(c4cccc(C(F)(F)F)n4)C3=O)ccc12
InChIInChI=1S/C19H16F3N5O5/c20-19(21,22)12-2-1-3-13(25-12)27-6-7-31-15(18(27)30)14(28)17(29)24-9-4-5-10-11(8-9)32-26-16(10)23/h1-5,8,14-15,28H,6-7H2,(H2,23,26)(H,24,29)
InChIKeyCLFMSVVSXZGATN-UHFFFAOYSA-N
MW451.36 g/mol
LogP1.56
Rot. Bonds4

About N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide

N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide (PubChem CID 144677567) has the molecular formula C19H16F3N5O5 and a molecular weight of 451.36 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide
PubChem CID144677567
Molecular FormulaC19H16F3N5O5
Molecular Weight451.36 g/mol
Exact Mass451.11
IUPAC NameN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide
SMILESNc1noc2cc(NC(=O)C(O)C3OCCN(c4cccc(C(F)(F)F)n4)C3=O)ccc12
InChIInChI=1S/C19H16F3N5O5/c20-19(21,22)12-2-1-3-13(25-12)27-6-7-31-15(18(27)30)14(28)17(29)24-9-4-5-10-11(8-9)32-26-16(10)23/h1-5,8,14-15,28H,6-7H2,(H2,23,26)(H,24,29)
InChIKeyCLFMSVVSXZGATN-UHFFFAOYSA-N
XLogP1.56
TPSA143.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 58182102
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290749
N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-[1-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-5-methylpyrazol-3-yl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 144677560
(2R)-2-[(S)-(8-amino-1,1-dihydroxy-4H-[1,2]oxazolo[5,4-g][1,2,4]benzothiadiazin-3-yl)-hydroxymethyl]-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-3-one
CID 136634482
N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 75153689
N-(3-amino-1H-indazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
CID 140562830
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(6-pyridazin-4-yl-2-pyridinyl)morpholin-2-yl]acetamide
CID 140697766
(2R)-N-(1-aminoisoquinolin-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-(4-propan-2-ylphenyl)morpholin-2-yl]acetamide
CID 118501226
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-[(2R)-4-(3-fluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 123859129
(2R)-N-(1-aminoisoquinolin-6-yl)-2-[(2R)-4-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 58290684
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-4-[6-(1,2-oxazol-4-yl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetamide
CID 140697751
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-6,6-dimethyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]-2-hydroxyacetamide
CID 90319407

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide?
The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide (CID 144677567) is N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide.
What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide?
The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide is Nc1noc2cc(NC(=O)C(O)C3OCCN(c4cccc(C(F)(F)F)n4)C3=O)ccc12.
What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide?
The InChIKey is CLFMSVVSXZGATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O5/c20-19(21,22)12-2-1-3-13(25-12)27-6-7-31-15(18(27)30)14(28)17(29)24-9-4-5-10-11(8-9)32-26-16(10)23/h1-5,8,14-15,28H,6-7H2,(H2,23,26)(H,24,29).
What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide?
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide has a molecular weight of 451.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[3-oxo-4-[6-(trifluoromethyl)-2-pyridinyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 144677567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).