5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

C10H12N4O2 — CID 106527877

IUPAC5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C#N)Cc1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C10H12N4O2/c1-6(5-11)4-8-13-9(14-16-8)10(15)12-7-2-3-7/h6-7H,2-4H2,1H3,(H,12,15)
InChIKeyNFFLVEKDCNKWCJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.66
Rot. Bonds4

About 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide

5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 106527877) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID106527877
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
SMILESCC(C#N)Cc1nc(C(=O)NC2CC2)no1
InChIInChI=1S/C10H12N4O2/c1-6(5-11)4-8-13-9(14-16-8)10(15)12-7-2-3-7/h6-7H,2-4H2,1H3,(H,12,15)
InChIKeyNFFLVEKDCNKWCJ-UHFFFAOYSA-N
XLogP0.66
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-[(prop-2-ynylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790857
5-(aminooxymethyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790953
5-(2-amino-2-cyclopropylethyl)-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790561
5-(2-cyanocyclopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 106527873
5-[[1-(aminomethyl)cyclobutyl]methyl]-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide
CID 102790819
5-(3-cyano-2-methylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 106527914
tert-butyl 3-[[3-(cyclopropylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]azetidine-1-carboxylate
CID 102791043
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
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106527287
N-cyclopropyl-5-[2-(methylamino)propan-2-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790924
2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525013

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide (CID 106527877) is 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is CC(C#N)Cc1nc(C(=O)NC2CC2)no1.
What is the InChIKey of 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is NFFLVEKDCNKWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6(5-11)4-8-13-9(14-16-8)10(15)12-7-2-3-7/h6-7H,2-4H2,1H3,(H,12,15).
What are the key properties of 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide?
5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanopropyl)-N-cyclopropyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 106527877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).