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

C10H16N2O2 — CID 123592888

IUPAC4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC=C(C)c1noc(CCC(C)O)n1
InChIInChI=1S/C10H16N2O2/c1-4-7(2)10-11-9(14-12-10)6-5-8(3)13/h4,8,13H,5-6H2,1-3H3
InChIKeyACRWTUVPBHVXKN-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.81
Rot. Bonds4

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

4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 123592888) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID123592888
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC=C(C)c1noc(CCC(C)O)n1
InChIInChI=1S/C10H16N2O2/c1-4-7(2)10-11-9(14-12-10)6-5-8(3)13/h4,8,13H,5-6H2,1-3H3
InChIKeyACRWTUVPBHVXKN-UHFFFAOYSA-N
XLogP1.81
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116799790
4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346150
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64534643
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65093742
3-but-2-en-2-yl-5-methyl-1,2,4-oxadiazole
CID 123960870
4-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 116808973
4-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345077
4-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349523
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345084
4-[3-(2,3-dihydro-1H-inden-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65404119

Frequently Asked Questions

What is the IUPAC name of 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 123592888) is 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC=C(C)c1noc(CCC(C)O)n1.
What is the InChIKey of 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is ACRWTUVPBHVXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-7(2)10-11-9(14-12-10)6-5-8(3)13/h4,8,13H,5-6H2,1-3H3.
What are the key properties of 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 196.25 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 123592888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).