5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole

C12H10ClFN2O2 — CID 82705989

IUPAC5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESFc1cc(OCc2nc(C3CC3)no2)ccc1Cl
InChIInChI=1S/C12H10ClFN2O2/c13-9-4-3-8(5-10(9)14)17-6-11-15-12(16-18-11)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyRHXCAVZIHFYIPK-UHFFFAOYSA-N
MW268.67 g/mol
LogP3.32
Rot. Bonds4

About 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole

5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole (PubChem CID 82705989) has the molecular formula C12H10ClFN2O2 and a molecular weight of 268.67 g/mol. Its IUPAC name is 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
PubChem CID82705989
Molecular FormulaC12H10ClFN2O2
Molecular Weight268.67 g/mol
Exact Mass268.04
IUPAC Name5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
SMILESFc1cc(OCc2nc(C3CC3)no2)ccc1Cl
InChIInChI=1S/C12H10ClFN2O2/c13-9-4-3-8(5-10(9)14)17-6-11-15-12(16-18-11)7-1-2-7/h3-5,7H,1-2,6H2
InChIKeyRHXCAVZIHFYIPK-UHFFFAOYSA-N
XLogP3.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.67
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60773437
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-2,3-dihydro-1-benzofuran-3-amine
CID 63095491
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]benzoic acid
CID 43473114
2-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-ol
CID 75499143
(1S)-1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364095
6-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 63096386
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-3-fluorobenzonitrile
CID 91659594
5-[(4-chlorophenoxy)methyl]-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63025608
1-[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 61495920
3-[(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methoxy]aniline
CID 65389709
N-[[4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 61495910
5-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carboxylic acid
CID 79794330

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole (CID 82705989) is 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole is Fc1cc(OCc2nc(C3CC3)no2)ccc1Cl.
What is the InChIKey of 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole?
The InChIKey is RHXCAVZIHFYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O2/c13-9-4-3-8(5-10(9)14)17-6-11-15-12(16-18-11)7-1-2-7/h3-5,7H,1-2,6H2.
What are the key properties of 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole?
5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole has a molecular weight of 268.67 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3-fluorophenoxy)methyl]-3-cyclopropyl-1,2,4-oxadiazole is sourced from PubChem (CID 82705989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).