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

C8H15N3O2 — CID 116799790

IUPAC4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(N(C)C)no1
InChIInChI=1S/C8H15N3O2/c1-6(12)4-5-7-9-8(10-13-7)11(2)3/h6,12H,4-5H2,1-3H3
InChIKeyWHCQXBRSYSIABH-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.45
Rot. Bonds4

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

4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol (PubChem CID 116799790) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol.

Molecular Properties

Compound Name4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
PubChem CID116799790
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol
SMILESCC(O)CCc1nc(N(C)C)no1
InChIInChI=1S/C8H15N3O2/c1-6(12)4-5-7-9-8(10-13-7)11(2)3/h6,12H,4-5H2,1-3H3
InChIKeyWHCQXBRSYSIABH-UHFFFAOYSA-N
XLogP0.45
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazol-3-amine
CID 115747820
5-(2-aminoethyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 75481048
4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63346150
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345489
4-(3-but-2-en-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 123592888
2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116799732
N,N-dimethyl-5-[2-(methylamino)propyl]-1,2,4-oxadiazol-3-amine
CID 116799810
4-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349523
4-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65093742
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 64534643
1-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116809019
4-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346200

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The IUPAC name of 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol (CID 116799790) is 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol.
What is the SMILES notation for 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The canonical SMILES for 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol is CC(O)CCc1nc(N(C)C)no1.
What is the InChIKey of 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol?
The InChIKey is WHCQXBRSYSIABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-6(12)4-5-7-9-8(10-13-7)11(2)3/h6,12H,4-5H2,1-3H3.
What are the key properties of 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol?
4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol has a molecular weight of 185.23 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]butan-2-ol is sourced from PubChem (CID 116799790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).