4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

C12H14N2O3 — CID 115079062

IUPAC4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCC(O)Cc1noc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C12H14N2O3/c1-8(15)6-11-13-12(17-14-11)7-9-2-4-10(16)5-3-9/h2-5,8,15-16H,6-7H2,1H3
InChIKeyLDYNAHQCFNAZFQ-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.29
Rot. Bonds4

About 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol

4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (PubChem CID 115079062) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
PubChem CID115079062
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
SMILESCC(O)Cc1noc(Cc2ccc(O)cc2)n1
InChIInChI=1S/C12H14N2O3/c1-8(15)6-11-13-12(17-14-11)7-9-2-4-10(16)5-3-9/h2-5,8,15-16H,6-7H2,1H3
InChIKeyLDYNAHQCFNAZFQ-UHFFFAOYSA-N
XLogP1.29
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol 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

1-(5-benzyl-1,2,4-oxadiazol-3-yl)propan-2-ol
CID 115078804
4-[[5-(3-amino-2-methoxypropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 103157533
4-[[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 63845067
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]phenol
CID 15001229
1-[5-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 102660586
1-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-methylpropan-2-amine;hydrochloride
CID 120866958
1-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-ol
CID 115079148
4-[[5-(1-aminopropyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 43470380
4-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63345077
3-[(4-bromophenyl)methyl]-5-[(4-methylphenyl)methyl]-1,2,4-oxadiazole
CID 56648292
5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115079120
N-ethyl-1-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 62827855

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The IUPAC name of 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol (CID 115079062) is 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol.
What is the SMILES notation for 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The canonical SMILES for 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is CC(O)Cc1noc(Cc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
The InChIKey is LDYNAHQCFNAZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-8(15)6-11-13-12(17-14-11)7-9-2-4-10(16)5-3-9/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol?
4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol has a molecular weight of 234.26 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2-hydroxypropyl)-1,2,4-oxadiazol-5-yl]methyl]phenol is sourced from PubChem (CID 115079062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).