[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol

C13H15ClN2O3 — CID 112612706

IUPAC[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
SMILESCC(C)c1nc(COc2c(Cl)cccc2CO)no1
InChIInChI=1S/C13H15ClN2O3/c1-8(2)13-15-11(16-19-13)7-18-12-9(6-17)4-3-5-10(12)14/h3-5,8,17H,6-7H2,1-2H3
InChIKeyDZAXGTRKZWMRRM-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.92
Rot. Bonds5

About [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol

[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol (PubChem CID 112612706) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
PubChem CID112612706
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol
SMILESCC(C)c1nc(COc2c(Cl)cccc2CO)no1
InChIInChI=1S/C13H15ClN2O3/c1-8(2)13-15-11(16-19-13)7-18-12-9(6-17)4-3-5-10(12)14/h3-5,8,17H,6-7H2,1-2H3
InChIKeyDZAXGTRKZWMRRM-UHFFFAOYSA-N
XLogP2.92
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol 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

2-chloro-6-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 114320296
1-[3-methyl-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-amine
CID 115958083
[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanamine
CID 112607605
5-propan-2-yl-3-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 63362147
[3-chloro-2-(quinolin-8-ylmethoxy)phenyl]methanol
CID 115956285
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 115953089
N-[[3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 115954899
3,5-dibromo-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 107738711
(1R)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanol
CID 78930415
3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]naphthalen-2-ol
CID 61497370
2-[[2-(bromomethyl)-6-chlorophenoxy]methyl]pyrimidine
CID 112613819
[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 112612639

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol (CID 112612706) is [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol is CC(C)c1nc(COc2c(Cl)cccc2CO)no1.
What is the InChIKey of [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
The InChIKey is DZAXGTRKZWMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8(2)13-15-11(16-19-13)7-18-12-9(6-17)4-3-5-10(12)14/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol?
[3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol has a molecular weight of 282.73 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 112612706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).