N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

C22H20N4O3 — CID 162502091

IUPACN-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC[C@@H]1[C@H]2CN(c3ccccc3)C(=O)[C@@H]12)c1cc(-c2cccnc2)on1
InChIInChI=1S/C22H20N4O3/c27-21(18-11-19(29-25-18)14-5-4-9-23-12-14)24-10-8-16-17-13-26(22(28)20(16)17)15-6-2-1-3-7-15/h1-7,9,11-12,16-17,20H,8,10,13H2,(H,24,27)/t16-,17-,20+/m1/s1
InChIKeyVIMGXZAHPROHKG-HLIPFELVSA-N
MW388.43 g/mol
LogP2.77
Rot. Bonds6

About N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide

N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (PubChem CID 162502091) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
PubChem CID162502091
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
SMILESO=C(NCC[C@@H]1[C@H]2CN(c3ccccc3)C(=O)[C@@H]12)c1cc(-c2cccnc2)on1
InChIInChI=1S/C22H20N4O3/c27-21(18-11-19(29-25-18)14-5-4-9-23-12-14)24-10-8-16-17-13-26(22(28)20(16)17)15-6-2-1-3-7-15/h1-7,9,11-12,16-17,20H,8,10,13H2,(H,24,27)/t16-,17-,20+/m1/s1
InChIKeyVIMGXZAHPROHKG-HLIPFELVSA-N
XLogP2.77
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide (CID 162502091) is N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is O=C(NCC[C@@H]1[C@H]2CN(c3ccccc3)C(=O)[C@@H]12)c1cc(-c2cccnc2)on1.
What is the InChIKey of N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
The InChIKey is VIMGXZAHPROHKG-HLIPFELVSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-21(18-11-19(29-25-18)14-5-4-9-23-12-14)24-10-8-16-17-13-26(22(28)20(16)17)15-6-2-1-3-7-15/h1-7,9,11-12,16-17,20H,8,10,13H2,(H,24,27)/t16-,17-,20+/m1/s1.
What are the key properties of N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide?
N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S,5R,6R)-2-oxo-3-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162502091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).