(1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile

C19H19N5O3 — CID 90903162

About (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile

(1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (PubChem CID 90903162) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

Molecular Properties

• Compound Name: (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
• PubChem CID: 90903162
• Molecular Formula: C19H19N5O3
• Molecular Weight: 365.39 g/mol
• Exact Mass: 365.15
• IUPAC Name: (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile
• SMILES: N#CC1(c2ccc(N3C[C@@H](CNc4ccon4)OC3=O)cc2)[C@@H]2CNC[C@@H]21
• InChI: InChI=1S/C19H19N5O3/c20-11-19(15-8-21-9-16(15)19)12-1-3-13(4-2-12)24-10-14(27-18(24)25)7-22-17-5-6-26-23-17/h1-6,14-16,21H,7-10H2,(H,22,23)/t14-,15-,16+,19?/m1/s1
• InChIKey: JXFVPUNTIQBGNC-GNOXNVMVSA-N
• XLogP: 1.72
• TPSA: 103.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.39
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?

The IUPAC name of (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile (CID 90903162) is (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile.

What is the SMILES notation for (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?

The canonical SMILES for (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is N#CC1(c2ccc(N3C[C@@H](CNc4ccon4)OC3=O)cc2)[C@@H]2CNC[C@@H]21.

What is the InChIKey of (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?

The InChIKey is JXFVPUNTIQBGNC-GNOXNVMVSA-N. The full InChI is InChI=1S/C19H19N5O3/c20-11-19(15-8-21-9-16(15)19)12-1-3-13(4-2-12)24-10-14(27-18(24)25)7-22-17-5-6-26-23-17/h1-6,14-16,21H,7-10H2,(H,22,23)/t14-,15-,16+,19?/m1/s1.

What are the key properties of (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile?

(1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile has a molecular weight of 365.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S,5R)-6-[4-[(5R)-5-[(1,2-oxazol-3-ylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile is sourced from PubChem (CID 90903162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).