4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol

C10H18N2O3 — CID 65093742

IUPAC4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCOCCCc1noc(CCC(C)O)n1
InChIInChI=1S/C10H18N2O3/c1-8(13)5-6-10-11-9(12-15-10)4-3-7-14-2/h8,13H,3-7H2,1-2H3
InChIKeyNQVLXFWWKRJEFP-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.96
Rot. Bonds7

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

4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 65093742) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID65093742
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCOCCCc1noc(CCC(C)O)n1
InChIInChI=1S/C10H18N2O3/c1-8(13)5-6-10-11-9(12-15-10)4-3-7-14-2/h8,13H,3-7H2,1-2H3
InChIKeyNQVLXFWWKRJEFP-UHFFFAOYSA-N
XLogP0.96
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.96
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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Related Compounds

4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 65093589
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 82688702
1,1-difluoro-3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65093584
4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346150
(1S)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66264295
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65094639
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-2-amine
CID 65095005
4-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345077
[5-(3-methoxybutyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660376
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 102926746
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116799790
5-(3-chloropropyl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 61412908

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 65093742) is 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is COCCCc1noc(CCC(C)O)n1.
What is the InChIKey of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is NQVLXFWWKRJEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-8(13)5-6-10-11-9(12-15-10)4-3-7-14-2/h8,13H,3-7H2,1-2H3.
What are the key properties of 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol?
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 214.26 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 65093742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).