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

C11H17N3O3 — CID 126423651

IUPAC(1S)-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-/m1/s1
InChIKeyFHKRKECZZPQJLZ-MRVPVSSYSA-N
MW239.27 g/mol
LogP0.92
Rot. Bonds5

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

(1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide (PubChem CID 126423651) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide
PubChem CID126423651
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name(1S)-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-/m1/s1
InChIKeyFHKRKECZZPQJLZ-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide (CID 126423651) is (1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-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 (1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide?
The InChIKey is FHKRKECZZPQJLZ-MRVPVSSYSA-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-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide?
(1S)-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 (1S)-2,2-dimethyl-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126423651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).