(5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C18H18N6O2 — CID 58748987

IUPAC(5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILES[C-]#[N+]C1(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C18H18N6O2/c1-19-18(15-8-20-9-16(15)18)12-2-4-13(5-3-12)24-11-14(26-17(24)25)10-23-7-6-21-22-23/h2-7,14-16,20H,8-11H2/t14-,15-,16+,18?/m0/s1
InChIKeyMZKVVZJVSARLHS-SXVFUXMRSA-N
MW350.38 g/mol
LogP1.27
Rot. Bonds4

About (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 58748987) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID58748987
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name(5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILES[C-]#[N+]C1(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2)[C@@H]2CNC[C@@H]21
InChIInChI=1S/C18H18N6O2/c1-19-18(15-8-20-9-16(15)18)12-2-4-13(5-3-12)24-11-14(26-17(24)25)10-23-7-6-21-22-23/h2-7,14-16,20H,8-11H2/t14-,15-,16+,18?/m0/s1
InChIKeyMZKVVZJVSARLHS-SXVFUXMRSA-N
XLogP1.27
TPSA76.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one 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

(5R)-3-[4-[6-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59853943
3-[4-(1-isocyanocyclopropyl)-3-methylphenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 20616660
3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69242871
(1R,5S)-6-[5-[2,6-difluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-6-isocyano-3-azabicyclo[3.1.0]hexane-3-carbonitrile
CID 59854026
(5R)-3-(3-methyl-1,2-benzoxazol-6-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24737782
(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one;dihydrochloride
CID 69364107
3-[3-fluoro-4-(triazol-1-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 154456896
(5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-isocyano-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 59854051
(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24738079
(5R)-3-[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23626595
1-[[(5R)-3-[4-(1-isocyanocyclopropyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]triazole-4-carboxylic acid
CID 59120602
(5R)-3-[3-fluoro-4-(2-oxo-2λ4-thia-6-azaspiro[3.3]heptan-6-yl)phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 126484471

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 58748987) is (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is [C-]#[N+]C1(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2)[C@@H]2CNC[C@@H]21.
What is the InChIKey of (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is MZKVVZJVSARLHS-SXVFUXMRSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-19-18(15-8-20-9-16(15)18)12-2-4-13(5-3-12)24-11-14(26-17(24)25)10-23-7-6-21-22-23/h2-7,14-16,20H,8-11H2/t14-,15-,16+,18?/m0/s1.
What are the key properties of (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 350.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[4-[(1S,5R)-6-isocyano-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58748987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).