N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide

C10H12N2O3 — CID 133268271

IUPACN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccon1
InChIInChI=1S/C10H12N2O3/c13-10(7-2-4-15-12-7)11-8-5-9-6(8)1-3-14-9/h2,4,6,8-9H,1,3,5H2,(H,11,13)/t6-,8+,9+/m0/s1
InChIKeySDVZTCMRGPPIEL-NBEYISGCSA-N
MW208.22 g/mol
LogP0.58
Rot. Bonds2

About N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide

N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide (PubChem CID 133268271) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide
PubChem CID133268271
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccon1
InChIInChI=1S/C10H12N2O3/c13-10(7-2-4-15-12-7)11-8-5-9-6(8)1-3-14-9/h2,4,6,8-9H,1,3,5H2,(H,11,13)/t6-,8+,9+/m0/s1
InChIKeySDVZTCMRGPPIEL-NBEYISGCSA-N
XLogP0.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide (CID 133268271) is N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1C[C@H]2OCC[C@@H]12)c1ccon1.
What is the InChIKey of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is SDVZTCMRGPPIEL-NBEYISGCSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10(7-2-4-15-12-7)11-8-5-9-6(8)1-3-14-9/h2,4,6,8-9H,1,3,5H2,(H,11,13)/t6-,8+,9+/m0/s1.
What are the key properties of N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide?
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 133268271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).