(2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide

C14H21N3O3 — CID 126428327

IUPAC(2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide
SMILESCc1nonc1OCCNC(=O)[C@@H]1CC12CCCCC2
InChIInChI=1S/C14H21N3O3/c1-10-13(17-20-16-10)19-8-7-15-12(18)11-9-14(11)5-3-2-4-6-14/h11H,2-9H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyLSUWQNBUYRXNLE-NSHDSACASA-N
MW279.34 g/mol
LogP1.84
Rot. Bonds5

About (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide

(2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide (PubChem CID 126428327) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide
PubChem CID126428327
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name(2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide
SMILESCc1nonc1OCCNC(=O)[C@@H]1CC12CCCCC2
InChIInChI=1S/C14H21N3O3/c1-10-13(17-20-16-10)19-8-7-15-12(18)11-9-14(11)5-3-2-4-6-14/h11H,2-9H2,1H3,(H,15,18)/t11-/m0/s1
InChIKeyLSUWQNBUYRXNLE-NSHDSACASA-N
XLogP1.84
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide (CID 126428327) is (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide is Cc1nonc1OCCNC(=O)[C@@H]1CC12CCCCC2.
What is the InChIKey of (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide?
The InChIKey is LSUWQNBUYRXNLE-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10-13(17-20-16-10)19-8-7-15-12(18)11-9-14(11)5-3-2-4-6-14/h11H,2-9H2,1H3,(H,15,18)/t11-/m0/s1.
What are the key properties of (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide?
(2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 126428327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).