(1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

C10H13N3O4 — CID 154865848

IUPAC(1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)C1[C@H]2COC[C@@H]12
InChIInChI=1S/C10H13N3O4/c14-9(8-5-3-16-4-6(5)8)11-2-1-7-12-10(15)17-13-7/h5-6,8H,1-4H2,(H,11,14)(H,12,13,15)/t5-,6+,8?
InChIKeyDHZVNRXEDMPVTE-OFWQXNEASA-N
MW239.23 g/mol
LogP-1.09
Rot. Bonds4

About (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide

(1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 154865848) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name(1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID154865848
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name(1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NCCc1noc(=O)[nH]1)C1[C@H]2COC[C@@H]12
InChIInChI=1S/C10H13N3O4/c14-9(8-5-3-16-4-6(5)8)11-2-1-7-12-10(15)17-13-7/h5-6,8H,1-4H2,(H,11,14)(H,12,13,15)/t5-,6+,8?
InChIKeyDHZVNRXEDMPVTE-OFWQXNEASA-N
XLogP-1.09
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide (CID 154865848) is (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is O=C(NCCc1noc(=O)[nH]1)C1[C@H]2COC[C@@H]12.
What is the InChIKey of (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is DHZVNRXEDMPVTE-OFWQXNEASA-N. The full InChI is InChI=1S/C10H13N3O4/c14-9(8-5-3-16-4-6(5)8)11-2-1-7-12-10(15)17-13-7/h5-6,8H,1-4H2,(H,11,14)(H,12,13,15)/t5-,6+,8?.
What are the key properties of (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide?
(1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 239.23 g/mol, XLogP of -1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 154865848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).