(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

About (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

(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 (PubChem CID 59853943) has the molecular formula C23H21N7O2 and a molecular weight of 427.47 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name	(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
PubChem CID	59853943
Molecular Formula	C23H21N7O2
Molecular Weight	427.47 g/mol
Exact Mass	427.18
IUPAC Name	(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
SMILES	[C-]#[N+]C1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3)cn2)[C@@H]2CNC[C@@H]21
InChI	InChI=1S/C23H21N7O2/c1-24-23(19-11-25-12-20(19)23)21-7-4-16(10-26-21)15-2-5-17(6-3-15)30-14-18(32-22(30)31)13-29-9-8-27-28-29/h2-10,18-20,25H,11-14H2/t18-,19-,20+,23?/m0/s1
InChIKey	FTCPRTHKOHHCAM-FGTCZWJISA-N
XLogP	2.33
TPSA	89.53 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.47
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (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?

The IUPAC name of (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) is (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.

What is the SMILES notation for (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?

The canonical SMILES for (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 is [C-]#[N+]C1(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3)cn2)[C@@H]2CNC[C@@H]21.

What is the InChIKey of (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?

The InChIKey is FTCPRTHKOHHCAM-FGTCZWJISA-N. The full InChI is InChI=1S/C23H21N7O2/c1-24-23(19-11-25-12-20(19)23)21-7-4-16(10-26-21)15-2-5-17(6-3-15)30-14-18(32-22(30)31)13-29-9-8-27-28-29/h2-10,18-20,25H,11-14H2/t18-,19-,20+,23?/m0/s1.

What are the key properties of (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?

(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 has a molecular weight of 427.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (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 is sourced from PubChem (CID 59853943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).