3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide

C10H12N4O4 — CID 86701379

IUPAC3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc([C@@H]2CC[C@@H]3CN2C(=O)N3O)no1
InChIInChI=1S/C10H12N4O4/c11-9(15)8-3-6(12-18-8)7-2-1-5-4-13(7)10(16)14(5)17/h3,5,7,17H,1-2,4H2,(H2,11,15)/t5-,7+/m1/s1
InChIKeyNYORARMVWZIVPR-VDTYLAMSSA-N
MW252.23 g/mol
LogP0.10
Rot. Bonds2

About 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide

3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide (PubChem CID 86701379) has the molecular formula C10H12N4O4 and a molecular weight of 252.23 g/mol. Its IUPAC name is 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide
PubChem CID86701379
Molecular FormulaC10H12N4O4
Molecular Weight252.23 g/mol
Exact Mass252.09
IUPAC Name3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide
SMILESNC(=O)c1cc([C@@H]2CC[C@@H]3CN2C(=O)N3O)no1
InChIInChI=1S/C10H12N4O4/c11-9(15)8-3-6(12-18-8)7-2-1-5-4-13(7)10(16)14(5)17/h3,5,7,17H,1-2,4H2,(H2,11,15)/t5-,7+/m1/s1
InChIKeyNYORARMVWZIVPR-VDTYLAMSSA-N
XLogP0.10
TPSA112.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-6-hydroxy-2-(1,3,4-oxadiazol-2-yl)-1,6-diazabicyclo[3.2.1]octan-7-one
CID 122595100
(2S,5R)-2-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 153017915
ethyl 5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2,4-oxadiazole-3-carboxylate
CID 86701411
(2S,5R)-6-hydroxy-2-[5-(3-methylcyclobutyl)-1,3,4-thiadiazol-2-yl]-1,6-diazabicyclo[3.2.1]octan-7-one
CID 157086211
[(2R,5R)-2-[5-[(1R)-2-(diaminomethylideneamino)-1-hydroxyethyl]-1,2-oxazol-3-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 71748170
(2S,5R)-6-methyl-2-[5-(1-methylpyridin-1-ium-4-yl)-1,2-oxazol-3-yl]-1,6-diazabicyclo[3.2.1]octan-7-one
CID 157242106
(2S,5R)-2-[5-[2-(2-aminoethylamino)ethyl]-1,2-oxazol-3-yl]-6-methyl-1,6-diazabicyclo[3.2.1]octan-7-one
CID 158363536
[(2R,5R)-2-[5-(azetidin-3-yloxymethyl)-1,2-oxazol-3-yl]-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate
CID 71748201
3-[1-(2-iminoethyl)piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 87753410
(2S,5R)-2-[5-(3-aminocyclobutyl)-1,2-oxazol-3-yl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 140627312
(2S,5R)-2-fluoro-6-hydroxy-1,6-diazabicyclo[3.2.1]octan-7-one
CID 146346758
tert-butyl (2S,4R)-2-[5-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,3,4-oxadiazol-2-yl]-4-methylpyrrolidine-1-carboxylate
CID 159284436

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide (CID 86701379) is 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide is NC(=O)c1cc([C@@H]2CC[C@@H]3CN2C(=O)N3O)no1.
What is the InChIKey of 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is NYORARMVWZIVPR-VDTYLAMSSA-N. The full InChI is InChI=1S/C10H12N4O4/c11-9(15)8-3-6(12-18-8)7-2-1-5-4-13(7)10(16)14(5)17/h3,5,7,17H,1-2,4H2,(H2,11,15)/t5-,7+/m1/s1.
What are the key properties of 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide?
3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 252.23 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octan-2-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86701379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).