1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide

C9H10N4O2 — CID 106398598

IUPAC1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ncon2)CCC1
InChIInChI=1S/C9H10N4O2/c10-5-9(2-1-3-9)8(14)11-4-7-12-6-15-13-7/h6H,1-4H2,(H,11,14)
InChIKeyLTSFSVDZOLOUDH-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.38
Rot. Bonds3

About 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide

1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide (PubChem CID 106398598) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide
PubChem CID106398598
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NCc2ncon2)CCC1
InChIInChI=1S/C9H10N4O2/c10-5-9(2-1-3-9)8(14)11-4-7-12-6-15-13-7/h6H,1-4H2,(H,11,14)
InChIKeyLTSFSVDZOLOUDH-UHFFFAOYSA-N
XLogP0.38
TPSA91.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,2,4-oxadiazol-3-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 106406108
1-(aminomethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 106396843
N-(cyanomethyl)-2-(1,2,4-oxadiazol-3-ylmethylamino)acetamide
CID 106399263
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 104579035
1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 78995295
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811
2-(cyclopentylamino)-N-(1,2,4-oxadiazol-3-ylmethyl)acetamide
CID 106396900
4-(N'-hydroxycarbamimidoyl)-N-(1,2,4-oxadiazol-3-ylmethyl)oxane-4-carboxamide
CID 106405899
1-cyano-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 103939777
2-(1,2,4-oxadiazol-3-ylmethylamino)-2-oxoacetic acid
CID 106406078

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide (CID 106398598) is 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide is N#CC1(C(=O)NCc2ncon2)CCC1.
What is the InChIKey of 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide?
The InChIKey is LTSFSVDZOLOUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-5-9(2-1-3-9)8(14)11-4-7-12-6-15-13-7/h6H,1-4H2,(H,11,14).
What are the key properties of 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide?
1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide has a molecular weight of 206.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,2,4-oxadiazol-3-ylmethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 106398598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).