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

C15H20N4O2 — CID 111457038

IUPAC4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol
SMILESOCCCCN(Cc1nc(-c2cccnc2)no1)C1CC1
InChIInChI=1S/C15H20N4O2/c20-9-2-1-8-19(13-5-6-13)11-14-17-15(18-21-14)12-4-3-7-16-10-12/h3-4,7,10,13,20H,1-2,5-6,8-9,11H2
InChIKeyKDHVMKVUHDNJQW-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.87
Rot. Bonds8

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

4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol (PubChem CID 111457038) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol
PubChem CID111457038
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol
SMILESOCCCCN(Cc1nc(-c2cccnc2)no1)C1CC1
InChIInChI=1S/C15H20N4O2/c20-9-2-1-8-19(13-5-6-13)11-14-17-15(18-21-14)12-4-3-7-16-10-12/h3-4,7,10,13,20H,1-2,5-6,8-9,11H2
InChIKeyKDHVMKVUHDNJQW-UHFFFAOYSA-N
XLogP1.87
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol?
The IUPAC name of 4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol (CID 111457038) is 4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol?
The canonical SMILES for 4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol is OCCCCN(Cc1nc(-c2cccnc2)no1)C1CC1.
What is the InChIKey of 4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol?
The InChIKey is KDHVMKVUHDNJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-9-2-1-8-19(13-5-6-13)11-14-17-15(18-21-14)12-4-3-7-16-10-12/h3-4,7,10,13,20H,1-2,5-6,8-9,11H2.
What are the key properties of 4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol?
4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol has a molecular weight of 288.35 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol is sourced from PubChem (CID 111457038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).