1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol

C9H16N2O2 — CID 104704265

IUPAC1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
SMILESCCCc1nc(C(O)CCC)no1
InChIInChI=1S/C9H16N2O2/c1-3-5-7(12)9-10-8(6-4-2)13-11-9/h7,12H,3-6H2,1-2H3
InChIKeyIRJKSFPXPSWZNU-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.86
Rot. Bonds5

About 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol

1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol (PubChem CID 104704265) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
PubChem CID104704265
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol
SMILESCCCc1nc(C(O)CCC)no1
InChIInChI=1S/C9H16N2O2/c1-3-5-7(12)9-10-8(6-4-2)13-11-9/h7,12H,3-6H2,1-2H3
InChIKeyIRJKSFPXPSWZNU-UHFFFAOYSA-N
XLogP1.86
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-heptyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704321
1-[5-(2,3,3-trimethylbutyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443194
1-(5-octyl-1,2,4-oxadiazol-3-yl)ethanol
CID 102660835
1-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)butan-1-ol
CID 104704309
1-[5-(2H-triazol-4-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096543
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096517
1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 113443207
1-[3-(2,4-dimethylpentan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 114282135
1-(5-octyl-1,2,4-oxadiazol-3-yl)butan-1-amine
CID 65428528
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64534643
1-[5-(4-tert-butylthiadiazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 103096520
phenyl-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine;hydrochloride
CID 54594395

Frequently Asked Questions

What is the IUPAC name of 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The IUPAC name of 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol (CID 104704265) is 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol.
What is the SMILES notation for 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The canonical SMILES for 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol is CCCc1nc(C(O)CCC)no1.
What is the InChIKey of 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
The InChIKey is IRJKSFPXPSWZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-7(12)9-10-8(6-4-2)13-11-9/h7,12H,3-6H2,1-2H3.
What are the key properties of 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol?
1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propyl-1,2,4-oxadiazol-3-yl)butan-1-ol is sourced from PubChem (CID 104704265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).