(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide

C11H17N3O3 — CID 126423652

IUPAC(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
SMILESCc1nonc1OCCNC(=O)[C@@H]1CC1(C)C
InChIInChI=1S/C11H17N3O3/c1-7-10(14-17-13-7)16-5-4-12-9(15)8-6-11(8,2)3/h8H,4-6H2,1-3H3,(H,12,15)/t8-/m0/s1
InChIKeyFHKRKECZZPQJLZ-QMMMGPOBSA-N
MW239.27 g/mol
LogP0.92
Rot. Bonds5

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

(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide (PubChem CID 126423652) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
PubChem CID126423652
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
SMILESCc1nonc1OCCNC(=O)[C@@H]1CC1(C)C
InChIInChI=1S/C11H17N3O3/c1-7-10(14-17-13-7)16-5-4-12-9(15)8-6-11(8,2)3/h8H,4-6H2,1-3H3,(H,12,15)/t8-/m0/s1
InChIKeyFHKRKECZZPQJLZ-QMMMGPOBSA-N
XLogP0.92
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.92
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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Related Compounds

N~1~-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-L-isoleucinamide
CID 91794880
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3R)-oxan-3-yl]acetamide
CID 126440510
4,4-Dimethyl-N-{2-[(4-methyl-1,2,5-oxadiazol-3-YL)oxy]ethyl}pentanamide
CID 119058742
2,2-dimethyl-N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}cyclopropanecarboxamide
CID 119058757
N-{2-[(4-Methyl-1,2,5-oxadiazol-3-YL)oxy]ethyl}spiro[2.5]octane-1-carboxamide
CID 119061358
N-{2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl}-2-(tetrahydro-2H-pyran-3-yl)acetamide
CID 121505177
(1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
CID 126423651
(2S)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide
CID 126428326
(2R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]spiro[2.5]octane-2-carboxamide
CID 126428327
N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-2-[(3S)-oxan-3-yl]acetamide
CID 126440509
(2S,3S)-2-amino-3-methyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]pentanamide;hydrochloride
CID 154903448

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide (CID 126423652) is (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide is Cc1nonc1OCCNC(=O)[C@@H]1CC1(C)C.
What is the InChIKey of (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide?
The InChIKey is FHKRKECZZPQJLZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7-10(14-17-13-7)16-5-4-12-9(15)8-6-11(8,2)3/h8H,4-6H2,1-3H3,(H,12,15)/t8-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide?
(1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide has a molecular weight of 239.27 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126423652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).