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

C11H11N3O3 — CID 167850559

IUPACtrans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1noc(NC(=O)[C@@H]2C[C@H]2c2ccco2)n1
InChIInChI=1S/C11H11N3O3/c1-6-12-11(17-14-6)13-10(15)8-5-7(8)9-3-2-4-16-9/h2-4,7-8H,5H2,1H3,(H,12,13,14,15)/t7-,8-/m1/s1
InChIKeyLBERQYZZWXIVST-HTQZYQBOSA-N
MW233.23 g/mol
LogP1.71
Rot. Bonds3

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

trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 167850559) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
PubChem CID167850559
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Nametrans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide
SMILESCc1noc(NC(=O)[C@@H]2C[C@H]2c2ccco2)n1
InChIInChI=1S/C11H11N3O3/c1-6-12-11(17-14-6)13-10(15)8-5-7(8)9-3-2-4-16-9/h2-4,7-8H,5H2,1H3,(H,12,13,14,15)/t7-,8-/m1/s1
InChIKeyLBERQYZZWXIVST-HTQZYQBOSA-N
XLogP1.71
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide (CID 167850559) is trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide is Cc1noc(NC(=O)[C@@H]2C[C@H]2c2ccco2)n1.
What is the InChIKey of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is LBERQYZZWXIVST-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-12-11(17-14-6)13-10(15)8-5-7(8)9-3-2-4-16-9/h2-4,7-8H,5H2,1H3,(H,12,13,14,15)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 233.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(furan-2-yl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167850559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).