4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

C15H20N2O3 — CID 63346014

IUPAC4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCC(C)C(c1nc(COc2ccccc2)no1)C(C)O
InChIInChI=1S/C15H20N2O3/c1-10(2)14(11(3)18)15-16-13(17-20-15)9-19-12-7-5-4-6-8-12/h4-8,10-11,14,18H,9H2,1-3H3
InChIKeyGCTQEHPPDWDDGI-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.77
Rot. Bonds6

About 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol

4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (PubChem CID 63346014) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
PubChem CID63346014
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
SMILESCC(C)C(c1nc(COc2ccccc2)no1)C(C)O
InChIInChI=1S/C15H20N2O3/c1-10(2)14(11(3)18)15-16-13(17-20-15)9-19-12-7-5-4-6-8-12/h4-8,10-11,14,18H,9H2,1-3H3
InChIKeyGCTQEHPPDWDDGI-UHFFFAOYSA-N
XLogP2.77
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-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

5-[(1S)-1-cyclopropylethyl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 99818778
3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63352262
N-methyl-2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 63561258
3-(phenoxymethyl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 62716190
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
4-methyl-3-(3-phenyl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345406
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
5-(1-chloroethyl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 43150191
3-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-ol
CID 63349816
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanamine
CID 78933139
N-methyl-4-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63351995
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]naphthalen-2-ol
CID 61497370

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The IUPAC name of 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol (CID 63346014) is 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol.
What is the SMILES notation for 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The canonical SMILES for 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is CC(C)C(c1nc(COc2ccccc2)no1)C(C)O.
What is the InChIKey of 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
The InChIKey is GCTQEHPPDWDDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)14(11(3)18)15-16-13(17-20-15)9-19-12-7-5-4-6-8-12/h4-8,10-11,14,18H,9H2,1-3H3.
What are the key properties of 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol?
4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol has a molecular weight of 276.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol is sourced from PubChem (CID 63346014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).