N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide

C22H21N7O5 — CID 140697765

IUPACN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide
SMILESC[C@]1(C(O)C(=O)Nc2ccc3c(N)noc3c2)OCCN(c2ccn(-c3cccnc3)n2)C1=O
InChIInChI=1S/C22H21N7O5/c1-22(18(30)20(31)25-13-4-5-15-16(11-13)34-27-19(15)23)21(32)28(9-10-33-22)17-6-8-29(26-17)14-3-2-7-24-12-14/h2-8,11-12,18,30H,9-10H2,1H3,(H2,23,27)(H,25,31)/t18?,22-/m1/s1
InChIKeyXMBVWNUVMLKBQZ-LMNIDFBRSA-N
MW463.45 g/mol
LogP1.11
Rot. Bonds5

About N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide

N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide (PubChem CID 140697765) has the molecular formula C22H21N7O5 and a molecular weight of 463.45 g/mol. Its IUPAC name is N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide
PubChem CID140697765
Molecular FormulaC22H21N7O5
Molecular Weight463.45 g/mol
Exact Mass463.16
IUPAC NameN-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide
SMILESC[C@]1(C(O)C(=O)Nc2ccc3c(N)noc3c2)OCCN(c2ccn(-c3cccnc3)n2)C1=O
InChIInChI=1S/C22H21N7O5/c1-22(18(30)20(31)25-13-4-5-15-16(11-13)34-27-19(15)23)21(32)28(9-10-33-22)17-6-8-29(26-17)14-3-2-7-24-12-14/h2-8,11-12,18,30H,9-10H2,1H3,(H2,23,27)(H,25,31)/t18?,22-/m1/s1
InChIKeyXMBVWNUVMLKBQZ-LMNIDFBRSA-N
XLogP1.11
TPSA161.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.45
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[2-methyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]acetamide
CID 118496299
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 90319891
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[1-[5-(trifluoromethyl)-3-pyridinyl]pyrazol-3-yl]morpholin-2-yl]acetamide
CID 140697761
N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[1-(6-cyanopyridazin-4-yl)pyrazol-3-yl]-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140697689
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-[1-[6-(trideuteriomethoxy)pyridazin-4-yl]pyrazol-3-yl]morpholin-2-yl]acetamide
CID 140697655
N-(3-amino-4-fluoro-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridazin-4-ylpyrazol-3-yl)morpholin-2-yl]acetamide
CID 140697768
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
N-(3-amino-1,2-benzoxazol-6-yl)-2-[4-(1-cyclopropyl-5-methylpyrazol-3-yl)-2-methyl-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 118496367
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
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(4-pyridin-4-yl-1,3-oxazol-2-yl)morpholin-2-yl]acetamide
CID 140697787
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(4-pyridin-4-yl-1,3-oxazol-2-yl)morpholin-2-yl]acetamide
CID 90317918
(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-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide?
The IUPAC name of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide (CID 140697765) is N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide.
What is the SMILES notation for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide?
The canonical SMILES for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide is C[C@]1(C(O)C(=O)Nc2ccc3c(N)noc3c2)OCCN(c2ccn(-c3cccnc3)n2)C1=O.
What is the InChIKey of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide?
The InChIKey is XMBVWNUVMLKBQZ-LMNIDFBRSA-N. The full InChI is InChI=1S/C22H21N7O5/c1-22(18(30)20(31)25-13-4-5-15-16(11-13)34-27-19(15)23)21(32)28(9-10-33-22)17-6-8-29(26-17)14-3-2-7-24-12-14/h2-8,11-12,18,30H,9-10H2,1H3,(H2,23,27)(H,25,31)/t18?,22-/m1/s1.
What are the key properties of N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide?
N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide has a molecular weight of 463.45 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-2-methyl-3-oxo-4-(1-pyridin-3-ylpyrazol-3-yl)morpholin-2-yl]acetamide is sourced from PubChem (CID 140697765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).