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

C13H13ClN2O3 — CID 114320504

IUPAC[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
SMILESOCc1c(Cl)cccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C13H13ClN2O3/c14-10-2-1-3-11(9(10)6-17)18-7-12-15-13(16-19-12)8-4-5-8/h1-3,8,17H,4-7H2
InChIKeyFFIMTUDKGXNVRD-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.67
Rot. Bonds5

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

[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol (PubChem CID 114320504) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is [2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
PubChem CID114320504
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
SMILESOCc1c(Cl)cccc1OCc1nc(C2CC2)no1
InChIInChI=1S/C13H13ClN2O3/c14-10-2-1-3-11(9(10)6-17)18-7-12-15-13(16-19-12)8-4-5-8/h1-3,8,17H,4-7H2
InChIKeyFFIMTUDKGXNVRD-UHFFFAOYSA-N
XLogP2.67
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 114321572
1-[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]-N-methylmethanamine
CID 114318867
[2-chloro-6-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 114320682
5-[(2-chlorophenoxy)methyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97443640
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 61496080
(1S)-1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931160
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 61380152
5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 82705989
(1S)-1-[5-chloro-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 78931347
2-[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 113277114
1-[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-4-fluorophenyl]ethanol
CID 63067508

Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The IUPAC name of [2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol (CID 114320504) is [2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol.
What is the SMILES notation for [2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The canonical SMILES for [2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol is OCc1c(Cl)cccc1OCc1nc(C2CC2)no1.
What is the InChIKey of [2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
The InChIKey is FFIMTUDKGXNVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c14-10-2-1-3-11(9(10)6-17)18-7-12-15-13(16-19-12)8-4-5-8/h1-3,8,17H,4-7H2.
What are the key properties of [2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol?
[2-chloro-6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol has a molecular weight of 280.71 g/mol, XLogP of 2.67, 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-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol is sourced from PubChem (CID 114320504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).