N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide

C7H11N3O2 — CID 143553758

IUPACN-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide
SMILESCCc1nnc(CCNC=O)o1
InChIInChI=1S/C7H11N3O2/c1-2-6-9-10-7(12-6)3-4-8-5-11/h5H,2-4H2,1H3,(H,8,11)
InChIKeyQXRLVBNACGEHPF-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.08
Rot. Bonds5

About N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide

N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide (PubChem CID 143553758) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide
PubChem CID143553758
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC NameN-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide
SMILESCCc1nnc(CCNC=O)o1
InChIInChI=1S/C7H11N3O2/c1-2-6-9-10-7(12-6)3-4-8-5-11/h5H,2-4H2,1H3,(H,8,11)
InChIKeyQXRLVBNACGEHPF-UHFFFAOYSA-N
XLogP-0.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide?
The IUPAC name of N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide (CID 143553758) is N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide?
The canonical SMILES for N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide is CCc1nnc(CCNC=O)o1.
What is the InChIKey of N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide?
The InChIKey is QXRLVBNACGEHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-2-6-9-10-7(12-6)3-4-8-5-11/h5H,2-4H2,1H3,(H,8,11).
What are the key properties of N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide?
N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide has a molecular weight of 169.18 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-1,3,4-oxadiazol-2-yl)ethyl]formamide is sourced from PubChem (CID 143553758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).