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

C20H17F3N4O5 — CID 58182102

IUPAC(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
SMILESNc1noc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc12
InChIInChI=1S/C20H17F3N4O5/c21-20(22,23)10-1-4-12(5-2-10)27-7-8-31-16(19(27)30)15(28)18(29)25-11-3-6-13-14(9-11)32-26-17(13)24/h1-6,9,15-16,28H,7-8H2,(H2,24,26)(H,25,29)/t15-,16-/m1/s1
InChIKeyDDKAYVCRRNZYEH-HZPDHXFCSA-N
MW450.37 g/mol
LogP2.16
Rot. Bonds4

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

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide (PubChem CID 58182102) has the molecular formula C20H17F3N4O5 and a molecular weight of 450.37 g/mol. Its IUPAC name is (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
PubChem CID58182102
Molecular FormulaC20H17F3N4O5
Molecular Weight450.37 g/mol
Exact Mass450.12
IUPAC Name(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide
SMILESNc1noc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc12
InChIInChI=1S/C20H17F3N4O5/c21-20(22,23)10-1-4-12(5-2-10)27-7-8-31-16(19(27)30)15(28)18(29)25-11-3-6-13-14(9-11)32-26-17(13)24/h1-6,9,15-16,28H,7-8H2,(H2,24,26)(H,25,29)/t15-,16-/m1/s1
InChIKeyDDKAYVCRRNZYEH-HZPDHXFCSA-N
XLogP2.16
TPSA130.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.37
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The IUPAC name of (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) is (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide is Nc1noc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(C(F)(F)F)cc4)C3=O)ccc12.
What is the InChIKey of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is DDKAYVCRRNZYEH-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H17F3N4O5/c21-20(22,23)10-1-4-12(5-2-10)27-7-8-31-16(19(27)30)15(28)18(29)25-11-3-6-13-14(9-11)32-26-17(13)24/h1-6,9,15-16,28H,7-8H2,(H2,24,26)(H,25,29)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide?
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 450.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[4-(trifluoromethyl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 58182102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).