5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine

C9H13N3O — CID 83875168

IUPAC5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESC1CC(c2nnc(NC3CC3)o2)C1
InChIInChI=1S/C9H13N3O/c1-2-6(3-1)8-11-12-9(13-8)10-7-4-5-7/h6-7H,1-5H2,(H,10,12)
InChIKeyXLOQPDXLZCLFOC-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.91
Rot. Bonds3

About 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine

5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine (PubChem CID 83875168) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
PubChem CID83875168
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine
SMILESC1CC(c2nnc(NC3CC3)o2)C1
InChIInChI=1S/C9H13N3O/c1-2-6(3-1)8-11-12-9(13-8)10-7-4-5-7/h6-7H,1-5H2,(H,10,12)
InChIKeyXLOQPDXLZCLFOC-UHFFFAOYSA-N
XLogP1.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-cyclohept-3-en-1-yl]-5-cyclopropyl-1,3,4-oxadiazol-2-amine
CID 138115367
N-cyclopropyl-5-piperidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456032
N-cyclopropyl-5-(disulfanyl)-1,3,4-oxadiazol-2-amine
CID 123387677
5-cyclobutyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 97210352
4-chloro-N-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 165351237
N-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-2-methylpropanamide
CID 16820583
2-(cyclopropylamino)-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)acetamide
CID 61253878
N-cycloheptyl-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968561
5-cyclopropyl-N-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-amine
CID 130626835
2-cyclobutyl-5-(2-methylcyclopropyl)-1,3,4-oxadiazole
CID 130621431
2-bromo-5-cyclooctyl-1,3,4-oxadiazole
CID 114771199
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine (CID 83875168) is 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine is C1CC(c2nnc(NC3CC3)o2)C1.
What is the InChIKey of 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
The InChIKey is XLOQPDXLZCLFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-6(3-1)8-11-12-9(13-8)10-7-4-5-7/h6-7H,1-5H2,(H,10,12).
What are the key properties of 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine?
5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-N-cyclopropyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 83875168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).