N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

C10H12N4O2 — CID 102790857

IUPACN-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC#CCNCc1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C10H12N4O2/c1-2-5-11-6-8-13-9(14-16-8)10(15)12-7-3-4-7/h1,7,11H,3-6H2,(H,12,15)
InChIKeyVLMHASOKEXHVGH-UHFFFAOYSA-N
MW220.23 g/mol
LogP-0.32
Rot. Bonds5

About N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide

N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102790857) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
PubChem CID102790857
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC NameN-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
SMILESC#CCNCc1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C10H12N4O2/c1-2-5-11-6-8-13-9(14-16-8)10(15)12-7-3-4-7/h1,7,11H,3-6H2,(H,12,15)
InChIKeyVLMHASOKEXHVGH-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
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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Related Compounds

5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790166
5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 106527877
5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790953
5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790819
5-[(3-chloroanilino)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102791051
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102791043
5-ethyl-N-prop-2-ynyl-1,2,4-oxadiazole-3-carboxamide
CID 130620375
N-[(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 80602418
N-cyclopropyl-5-(2-piperidin-4-yloxyethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790886
5-[(4-aminophenoxy)methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790931
1-cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 115578476
N-cyclopropyl-5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790924

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide (CID 102790857) is N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is C#CCNCc1nc(C(=O)NC2CC2)no1.
What is the InChIKey of N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is VLMHASOKEXHVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-2-5-11-6-8-13-9(14-16-8)10(15)12-7-3-4-7/h1,7,11H,3-6H2,(H,12,15).
What are the key properties of N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide?
N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102790857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).