[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol

C13H15ClN2O3 — CID 114320682

IUPAC[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
SMILESCC(C)c1noc(COc2cccc(Cl)c2CO)n1
InChIInChI=1S/C13H15ClN2O3/c1-8(2)13-15-12(19-16-13)7-18-11-5-3-4-10(14)9(11)6-17/h3-5,8,17H,6-7H2,1-2H3
InChIKeyDUQBSADRHKDOGD-UHFFFAOYSA-N
MW282.73 g/mol
LogP2.92
Rot. Bonds5

About [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol

[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol (PubChem CID 114320682) has the molecular formula C13H15ClN2O3 and a molecular weight of 282.73 g/mol. Its IUPAC name is [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
PubChem CID114320682
Molecular FormulaC13H15ClN2O3
Molecular Weight282.73 g/mol
Exact Mass282.08
IUPAC Name[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
SMILESCC(C)c1noc(COc2cccc(Cl)c2CO)n1
InChIInChI=1S/C13H15ClN2O3/c1-8(2)13-15-12(19-16-13)7-18-11-5-3-4-10(14)9(11)6-17/h3-5,8,17H,6-7H2,1-2H3
InChIKeyDUQBSADRHKDOGD-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

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Related Compounds

[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320504
5-[(2-methylphenoxy)methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 60721266
(1S)-1-[2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-amine
CID 78933043
[3-chloro-5-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 61495174
2-[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 113277114
1-[2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 114321952
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114319883
5-chloro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 61379423
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
(1R)-1-[5-methyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78933395
1-[5-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 112724022

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The IUPAC name of [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol (CID 114320682) is [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol is CC(C)c1noc(COc2cccc(Cl)c2CO)n1.
What is the InChIKey of [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The InChIKey is DUQBSADRHKDOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O3/c1-8(2)13-15-12(19-16-13)7-18-11-5-3-4-10(14)9(11)6-17/h3-5,8,17H,6-7H2,1-2H3.
What are the key properties of [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-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 [2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 114320682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).