trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide

C8H11N3O2 — CID 130891695

IUPACtrans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1nonc1NC(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C8H11N3O2/c1-4-3-6(4)8(12)9-7-5(2)10-13-11-7/h4,6H,3H2,1-2H3,(H,9,11,12)/t4-,6-/m0/s1
InChIKeyHXELWDYDIGTRGZ-NJGYIYPDSA-N
MW181.19 g/mol
LogP0.97
Rot. Bonds2

About trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 130891695) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide
PubChem CID130891695
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nametrans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide
SMILESCc1nonc1NC(=O)[C@H]1C[C@@H]1C
InChIInChI=1S/C8H11N3O2/c1-4-3-6(4)8(12)9-7-5(2)10-13-11-7/h4,6H,3H2,1-2H3,(H,9,11,12)/t4-,6-/m0/s1
InChIKeyHXELWDYDIGTRGZ-NJGYIYPDSA-N
XLogP0.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide (CID 130891695) is trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide is Cc1nonc1NC(=O)[C@H]1C[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is HXELWDYDIGTRGZ-NJGYIYPDSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-4-3-6(4)8(12)9-7-5(2)10-13-11-7/h4,6H,3H2,1-2H3,(H,9,11,12)/t4-,6-/m0/s1.
What are the key properties of trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-methyl-N-(4-methyl-1,2,5-oxadiazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 130891695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).