(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

C20H17F3N4O6 — CID 58290749

IUPAC(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNc1noc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(F)c(OC(F)F)c4)C3=O)ccc12
InChIInChI=1S/C20H17F3N4O6/c21-12-4-2-10(8-14(12)32-20(22)23)27-5-6-31-16(19(27)30)15(28)18(29)25-9-1-3-11-13(7-9)33-26-17(11)24/h1-4,7-8,15-16,20,28H,5-6H2,(H2,24,26)(H,25,29)/t15-,16-/m1/s1
InChIKeyCBLJLHJAOGAORD-HZPDHXFCSA-N
MW466.37 g/mol
LogP1.88
Rot. Bonds6

About (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide

(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (PubChem CID 58290749) has the molecular formula C20H17F3N4O6 and a molecular weight of 466.37 g/mol. Its IUPAC name is (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
PubChem CID58290749
Molecular FormulaC20H17F3N4O6
Molecular Weight466.37 g/mol
Exact Mass466.11
IUPAC Name(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide
SMILESNc1noc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(F)c(OC(F)F)c4)C3=O)ccc12
InChIInChI=1S/C20H17F3N4O6/c21-12-4-2-10(8-14(12)32-20(22)23)27-5-6-31-16(19(27)30)15(28)18(29)25-9-1-3-11-13(7-9)33-26-17(11)24/h1-4,7-8,15-16,20,28H,5-6H2,(H2,24,26)(H,25,29)/t15-,16-/m1/s1
InChIKeyCBLJLHJAOGAORD-HZPDHXFCSA-N
XLogP1.88
TPSA140.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The IUPAC name of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide (CID 58290749) is (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide.
What is the SMILES notation for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The canonical SMILES for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is Nc1noc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4ccc(F)c(OC(F)F)c4)C3=O)ccc12.
What is the InChIKey of (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
The InChIKey is CBLJLHJAOGAORD-HZPDHXFCSA-N. The full InChI is InChI=1S/C20H17F3N4O6/c21-12-4-2-10(8-14(12)32-20(22)23)27-5-6-31-16(19(27)30)15(28)18(29)25-9-1-3-11-13(7-9)33-26-17(11)24/h1-4,7-8,15-16,20,28H,5-6H2,(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-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide?
(2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide has a molecular weight of 466.37 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-amino-1,2-benzoxazol-6-yl)-2-[(2R)-4-[3-(difluoromethoxy)-4-fluorophenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetamide is sourced from PubChem (CID 58290749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).