3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol

C16H13ClFN3O3 — CID 166074778

IUPAC3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)no1
InChIInChI=1S/C16H13ClFN3O3/c17-11-8-13(18)16(19-9-11)23-12-5-3-10(4-6-12)15-20-14(24-21-15)2-1-7-22/h3-6,8-9,22H,1-2,7H2
InChIKeyBHCDOUBENFJFOM-UHFFFAOYSA-N
MW349.75 g/mol
LogP3.64
Rot. Bonds6

About 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol

3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 166074778) has the molecular formula C16H13ClFN3O3 and a molecular weight of 349.75 g/mol. Its IUPAC name is 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID166074778
Molecular FormulaC16H13ClFN3O3
Molecular Weight349.75 g/mol
Exact Mass349.06
IUPAC Name3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESOCCCc1nc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)no1
InChIInChI=1S/C16H13ClFN3O3/c17-11-8-13(18)16(19-9-11)23-12-5-3-10(4-6-12)15-20-14(24-21-15)2-1-7-22/h3-6,8-9,22H,1-2,7H2
InChIKeyBHCDOUBENFJFOM-UHFFFAOYSA-N
XLogP3.64
TPSA81.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol with MolForge

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191177
3-(3-chloro-4-fluorophenyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 63092416
6-[3-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 63093946
3-(4-chlorophenyl)-5-pentadecyl-1,2,4-oxadiazole
CID 24848734
[1-[3-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]-3-oxopropan-2-yl] carbamate
CID 175499026
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenoxy)-3-pyridinyl]propanamide
CID 55763892
tert-butyl N-[(2S)-1-[3-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]-3-hydroxypropan-2-yl]carbamate
CID 166021428
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 112831228
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 58335940
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 55723238
5-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-2-fluorobenzamide
CID 59402941
3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole
CID 4658635

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 166074778) is 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is OCCCc1nc(-c2ccc(Oc3ncc(Cl)cc3F)cc2)no1.
What is the InChIKey of 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is BHCDOUBENFJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O3/c17-11-8-13(18)16(19-9-11)23-12-5-3-10(4-6-12)15-20-14(24-21-15)2-1-7-22/h3-6,8-9,22H,1-2,7H2.
What are the key properties of 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 349.75 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 166074778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).