4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol

C13H21N3O2 — CID 111458836

IUPAC4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol
SMILESOCCCCN(Cc1nnc(C2CC2)o1)C1CC1
InChIInChI=1S/C13H21N3O2/c17-8-2-1-7-16(11-5-6-11)9-12-14-15-13(18-12)10-3-4-10/h10-11,17H,1-9H2
InChIKeyFJEXNYQOWYWKNK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds8

About 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol

4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol (PubChem CID 111458836) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol
PubChem CID111458836
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol
SMILESOCCCCN(Cc1nnc(C2CC2)o1)C1CC1
InChIInChI=1S/C13H21N3O2/c17-8-2-1-7-16(11-5-6-11)9-12-14-15-13(18-12)10-3-4-10/h10-11,17H,1-9H2
InChIKeyFJEXNYQOWYWKNK-UHFFFAOYSA-N
XLogP1.68
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol (CID 111458836) is 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol is OCCCCN(Cc1nnc(C2CC2)o1)C1CC1.
What is the InChIKey of 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol?
The InChIKey is FJEXNYQOWYWKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-8-2-1-7-16(11-5-6-11)9-12-14-15-13(18-12)10-3-4-10/h10-11,17H,1-9H2.
What are the key properties of 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol?
4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol has a molecular weight of 251.33 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 111458836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).