N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

C9H13N3O3 — CID 71781005

IUPACN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESCOCCc1nnc(NC(=O)C2CC2)o1
InChIInChI=1S/C9H13N3O3/c1-14-5-4-7-11-12-9(15-7)10-8(13)6-2-3-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyCDXOPRJOJAFHNL-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.61
Rot. Bonds5

About N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide

N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (PubChem CID 71781005) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
PubChem CID71781005
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC NameN-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
SMILESCOCCc1nnc(NC(=O)C2CC2)o1
InChIInChI=1S/C9H13N3O3/c1-14-5-4-7-11-12-9(15-7)10-8(13)6-2-3-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyCDXOPRJOJAFHNL-UHFFFAOYSA-N
XLogP0.61
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide (CID 71781005) is N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is COCCc1nnc(NC(=O)C2CC2)o1.
What is the InChIKey of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is CDXOPRJOJAFHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-14-5-4-7-11-12-9(15-7)10-8(13)6-2-3-6/h6H,2-5H2,1H3,(H,10,12,13).
What are the key properties of N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide?
N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 211.22 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyethyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71781005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).