(1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

C19H18N2O5 — CID 25263500

IUPAC(1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESO=C(NO)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C(=O)[C@@H]1O2
InChIInChI=1S/C19H18N2O5/c22-18(20-24)16-17-19(23)21(11-15(25-16)26-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-17,24H,10-11H2,(H,20,22)/t15-,16-,17-/m1/s1
InChIKeyBWOKASASDZJUBT-BRWVUGGUSA-N
MW354.36 g/mol
LogP1.31
Rot. Bonds4

About (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

(1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (PubChem CID 25263500) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.

Molecular Properties

Compound Name(1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
PubChem CID25263500
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESO=C(NO)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C(=O)[C@@H]1O2
InChIInChI=1S/C19H18N2O5/c22-18(20-24)16-17-19(23)21(11-15(25-16)26-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-17,24H,10-11H2,(H,20,22)/t15-,16-,17-/m1/s1
InChIKeyBWOKASASDZJUBT-BRWVUGGUSA-N
XLogP1.31
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The IUPAC name of (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (CID 25263500) is (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.
What is the SMILES notation for (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The canonical SMILES for (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is O=C(NO)[C@@H]1O[C@H]2CN(Cc3ccc(-c4ccccc4)cc3)C(=O)[C@@H]1O2.
What is the InChIKey of (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The InChIKey is BWOKASASDZJUBT-BRWVUGGUSA-N. The full InChI is InChI=1S/C19H18N2O5/c22-18(20-24)16-17-19(23)21(11-15(25-16)26-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15-17,24H,10-11H2,(H,20,22)/t15-,16-,17-/m1/s1.
What are the key properties of (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
(1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is sourced from PubChem (CID 25263500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).