N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide

C10H12N4O2 — CID 79286525

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H12N4O2/c1-2-5-11-6-8(15)12-10-14-13-9(16-10)7-3-4-7/h1,7,11H,3-6H2,(H,12,14,15)
InChIKeyQSWHZALQBNXBOK-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.11
Rot. Bonds5

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79286525) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID79286525
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1nnc(C2CC2)o1
InChIInChI=1S/C10H12N4O2/c1-2-5-11-6-8(15)12-10-14-13-9(16-10)7-3-4-7/h1,7,11H,3-6H2,(H,12,14,15)
InChIKeyQSWHZALQBNXBOK-UHFFFAOYSA-N
XLogP0.11
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide (CID 79286525) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is QSWHZALQBNXBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-5-11-6-8(15)12-10-14-13-9(16-10)7-3-4-7/h1,7,11H,3-6H2,(H,12,14,15).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 220.23 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).