N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C16H19N3O5 — CID 166316848

IUPACN-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1[C@H]2CN(C(=O)c3coc(=O)[nH]3)C[C@@H]12)C1CC2CCC1O2
InChIInChI=1S/C16H19N3O5/c20-14(8-3-7-1-2-12(8)24-7)18-13-9-4-19(5-10(9)13)15(21)11-6-23-16(22)17-11/h6-10,12-13H,1-5H2,(H,17,22)(H,18,20)/t7?,8?,9-,10+,12?,13?
InChIKeyREOSOEVFQSOGPH-BNYKQURLSA-N
MW333.34 g/mol
LogP-0.28
Rot. Bonds3

About N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide

N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 166316848) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID166316848
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NC1[C@H]2CN(C(=O)c3coc(=O)[nH]3)C[C@@H]12)C1CC2CCC1O2
InChIInChI=1S/C16H19N3O5/c20-14(8-3-7-1-2-12(8)24-7)18-13-9-4-19(5-10(9)13)15(21)11-6-23-16(22)17-11/h6-10,12-13H,1-5H2,(H,17,22)(H,18,20)/t7?,8?,9-,10+,12?,13?
InChIKeyREOSOEVFQSOGPH-BNYKQURLSA-N
XLogP-0.28
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 166316848) is N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is O=C(NC1[C@H]2CN(C(=O)c3coc(=O)[nH]3)C[C@@H]12)C1CC2CCC1O2.
What is the InChIKey of N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is REOSOEVFQSOGPH-BNYKQURLSA-N. The full InChI is InChI=1S/C16H19N3O5/c20-14(8-3-7-1-2-12(8)24-7)18-13-9-4-19(5-10(9)13)15(21)11-6-23-16(22)17-11/h6-10,12-13H,1-5H2,(H,17,22)(H,18,20)/t7?,8?,9-,10+,12?,13?.
What are the key properties of N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 333.34 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R)-3-(2-oxo-3H-1,3-oxazole-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 166316848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).